2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one

C14H13N5O2 — CID 599709

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(O)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C14H13N5O2/c1-7-3-4-9-8(2)15-13(16-10(9)5-7)19-14-17-11(20)6-12(21)18-14/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21)
InChIKeyNYZAXMXFBCRLDC-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.78
Rot. Bonds2

About 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 599709) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID599709
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(O)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C14H13N5O2/c1-7-3-4-9-8(2)15-13(16-10(9)5-7)19-14-17-11(20)6-12(21)18-14/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21)
InChIKeyNYZAXMXFBCRLDC-UHFFFAOYSA-N
XLogP1.78
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one (CID 599709) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one is Cc1ccc2c(C)nc(Nc3nc(O)cc(=O)[nH]3)nc2c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NYZAXMXFBCRLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-7-3-4-9-8(2)15-13(16-10(9)5-7)19-14-17-11(20)6-12(21)18-14/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 283.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 599709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).