4-Chloro-6-isopropoxypyrimidine - CAS 83774-13-4

Catalog:	BB037092
Product Name:	4-Chloro-6-isopropoxypyrimidine
CAS:	83774-13-4
Synonyms:	4-chloro-6-propan-2-yloxypyrimidine; 4-chloro-6-propan-2-yloxypyrimidine

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-chloro-6-propan-2-yloxypyrimidine
Description:	4-Chloro-6-isopropoxypyrimidine (CAS# 83774-13-4) is used in the synthesis of pyrimidinyl-substituted thiazolidinediones which has hypoglycemic and hypolipidemic activities.
Molecular Weight:	172.61
Molecular Formula:	C7H9ClN2O
Canonical SMILES:	CC(C)OC1=CC(=NC=N1)Cl
InChI:	InChI=1S/C7H9ClN2O/c1-5(2)11-7-3-6(8)9-4-10-7/h3-5H,1-2H3
InChI Key:	RQWKDAIBLSRPIC-UHFFFAOYSA-N
Boiling Point:	248.7 °C at 760 mmHg
Density:	1.188 g/cm³
Appearance:	Liquid
MDL:	MFCD11847658
LogP:	1.91720

Publication Number	Title	Priority Date
WO-2020132269-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
TW-202039501-A	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
US-2021115049-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
CN-113164485-A	Substituted pyrazolopyrimidines and substituted purines and their use as inhibitors of ubiquitin-specific processing protease 1(USP1)	20181220
EP-3897652-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0403406
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0403406
Rotatable Bond Count:	2
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3