6-Chloro-2,4-dimethoxypyrimidine - CAS 6320-15-6

Catalog:	BB032051
Product Name:	6-Chloro-2,4-dimethoxypyrimidine
CAS:	6320-15-6
Synonyms:	4-chloro-2,6-dimethoxypyrimidine

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Computed Properties

IUPAC Name:	4-chloro-2,6-dimethoxypyrimidine
Description:	6-Chloro-2,4-dimethoxypyrimidine (CAS# 6320-15-6) is a compound useful in organic synthesis.
Molecular Weight:	174.58
Molecular Formula:	C6H7ClN2O2
Canonical SMILES:	COC1=CC(=NC(=N1)OC)Cl
InChI:	InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChI Key:	JHNRTJRDRWKAIW-UHFFFAOYSA-N
Boiling Point:	280.6 °C at 760 mmHg
Density:	1.285 g/cm³
MDL:	MFCD00006068
LogP:	1.14720

Publication Number	Title	Priority Date
WO-2020054484-A1	Modified multi-component copolymer, rubber composition, resin composition, tire and resin product	20180914
EP-3851489-A1	Modified multi-component copolymer, rubber composition, resin composition, tire and resin product	20180914
JP-WO2020054484-A1	Modified multipolymers, rubber compositions, resin compositions, tires and resin products	20180914
WO-2019208635-A1	Condensed pyrimidine derivative	20180427
JP-2021127289-A	Condensed pyrimidine derivative	20180427

PMID	Publication Date	Title	Journal
20590101	20100806	Short access to 6-substituted pyrimidine derivatives by the S(RN)1 mechanism. Synthesis of 6-substituted uracils through a one-pot procedure	The Journal of organic chemistry
18489150	20080620	A novel approach to the synthesis of 6-substituted uracils in three-step, one-pot reactions	The Journal of organic chemistry
17705537	20070914	A new series of 3-alkyl phosphate derivatives of 4,5,6,7-tetrahydro-1-D-ribityl-1H-pyrazolo[3,4-d]pyrimidinedione as inhibitors of lumazine synthase: design, synthesis, and evaluation	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.0196052
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.0196052
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8