2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one

C22H19ClN6O2 — CID 123311444

IUPAC2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one
SMILESCOc1cc(NC2CC2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)nc(N)n1
InChIInChI=1S/C22H19ClN6O2/c1-31-18-11-17(27-22(24)28-18)25-16-10-13(16)20-26-15-9-5-8-14(23)19(15)21(30)29(20)12-6-3-2-4-7-12/h2-9,11,13,16H,10H2,1H3,(H3,24,25,27,28)
InChIKeyGBACBGKFBWTMKO-UHFFFAOYSA-N
MW434.89 g/mol
LogP3.39
Rot. Bonds5

About 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one

2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one (PubChem CID 123311444) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one
PubChem CID123311444
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one
SMILESCOc1cc(NC2CC2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)nc(N)n1
InChIInChI=1S/C22H19ClN6O2/c1-31-18-11-17(27-22(24)28-18)25-16-10-13(16)20-26-15-9-5-8-14(23)19(15)21(30)29(20)12-6-3-2-4-7-12/h2-9,11,13,16H,10H2,1H3,(H3,24,25,27,28)
InChIKeyGBACBGKFBWTMKO-UHFFFAOYSA-N
XLogP3.39
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one with MolForge

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Related Compounds

3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[(2-amino-6-methoxypyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;4-chloro-6-methoxypyrimidin-2-amine;methane
CID 157339893
2-amino-4-[(2S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)pyrrolidin-1-yl]-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294823
4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 78320362
tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate
CID 134305806
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
8-chloro-3-[(1S)-1-[(2,6-diaminopyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 58008991
tert-butyl (2S,4S)-2-[3-(3-aminophenyl)-5-chloro-4-oxoquinazolin-2-yl]-4-fluoropyrrolidine-1-carboxylate
CID 118571802
5-chloro-2-[(1S)-1-[(2,6-diamino-5-fluoropyrimidin-4-yl)amino]ethyl]-3-phenylquinazolin-4-one
CID 90235769
(2S)-2-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]pyrrolidine-1-carboxylic acid
CID 175123313
tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-[(2,2-difluoroacetyl)-methylamino]pyrrolidine-1-carboxylate
CID 118677620
4-[2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)pyrrolidin-1-yl]-8-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-5-one
CID 134433511
2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
CID 58938522

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one (CID 123311444) is 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one is COc1cc(NC2CC2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)nc(N)n1.
What is the InChIKey of 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one?
The InChIKey is GBACBGKFBWTMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c1-31-18-11-17(27-22(24)28-18)25-16-10-13(16)20-26-15-9-5-8-14(23)19(15)21(30)29(20)12-6-3-2-4-7-12/h2-9,11,13,16H,10H2,1H3,(H3,24,25,27,28).
What are the key properties of 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one?
2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one has a molecular weight of 434.89 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one is sourced from PubChem (CID 123311444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).