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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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).