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1-Methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

1-Methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione - CAS 142168-85-2

Catalog:	BB009317
Product Name:	1-Methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CAS:	142168-85-2
Synonyms:	1-methylpyrido[2,3-d]pyrimidine-2,4-dione; 1-methylpyrido[2,3-d]pyrimidine-2,4-dione

Technical Data

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Computed Properties

IUPAC Name:	1-methylpyrido[2,3-d]pyrimidine-2,4-dione
Description:	1-Methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione (CAS# 142168-85-2) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	CN1C2=C(C=CC=N2)C(=O)NC1=O
InChI:	InChI=1S/C8H7N3O2/c1-11-6-5(3-2-4-9-6)7(12)10-8(11)13/h2-4H,1H3,(H,10,12,13)
InChI Key:	RHJWPKURFUYZTM-UHFFFAOYSA-N
LogP:	0.03410

Publication Number	Title	Priority Date
CN-107614501-B	Hydroxyl purine compound and application thereof	20150520
EP-3299371-A1	Hydroxyl purine compounds and use thereof	20150520
JP-2018515559-A	Hydroxypurine compounds and applications thereof	20150520
JP-6511692-B2	Hydroxypurine compound and its application	20150520
TW-201706268-A	Hydroxyl purine compound and application thereof	20150520

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Carbonyl Compounds

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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:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.053826475
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.053826475
Rotatable Bond Count:	0
Topological Polar Surface Area:	62.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1