2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one

C19H15N5O2 — CID 162645431

IUPAC2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one
SMILESCOc1cccc(-c2cc(-c3nc4ccccc4c(=O)[nH]3)nc(N)n2)c1
InChIInChI=1S/C19H15N5O2/c1-26-12-6-4-5-11(9-12)15-10-16(23-19(20)22-15)17-21-14-8-3-2-7-13(14)18(25)24-17/h2-10H,1H3,(H2,20,22,23)(H,21,24,25)
InChIKeyWNPAJUPHTMQEND-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.64
Rot. Bonds3

About 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one

2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one (PubChem CID 162645431) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one
PubChem CID162645431
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one
SMILESCOc1cccc(-c2cc(-c3nc4ccccc4c(=O)[nH]3)nc(N)n2)c1
InChIInChI=1S/C19H15N5O2/c1-26-12-6-4-5-11(9-12)15-10-16(23-19(20)22-15)17-21-14-8-3-2-7-13(14)18(25)24-17/h2-10H,1H3,(H2,20,22,23)(H,21,24,25)
InChIKeyWNPAJUPHTMQEND-UHFFFAOYSA-N
XLogP2.64
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-1H-quinazolin-4-one
CID 135449223
5-[(3-methoxyphenyl)carbonyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 11974955
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-phenyl-5,6-dihydropyrimidin-4(3H)-one
CID 2880309
5-Ethyl-2-(6-methoxy-4-methyl-quinazolin-2-ylamino)-6-methyl-1H-pyrimidin-4-one
CID 135417044
2-(3-methoxyphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468698
N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-3-methoxybenzamide
CID 27478437
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-3-methoxybenzamide
CID 45485028
4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]benzamide
CID 53318738

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one (CID 162645431) is 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one is COc1cccc(-c2cc(-c3nc4ccccc4c(=O)[nH]3)nc(N)n2)c1.
What is the InChIKey of 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one?
The InChIKey is WNPAJUPHTMQEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-12-6-4-5-11(9-12)15-10-16(23-19(20)22-15)17-21-14-8-3-2-7-13(14)18(25)24-17/h2-10H,1H3,(H2,20,22,23)(H,21,24,25).
What are the key properties of 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one?
2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one has a molecular weight of 345.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 162645431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).