4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C14H13N5O2 — CID 788084

IUPAC4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1c(O)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O
InChIInChI=1S/C14H13N5O2/c1-7-11(20)17-14(18-12(7)21)19-13-15-8(2)9-5-3-4-6-10(9)16-13/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21)
InChIKeyKTGRYUMNDZOUNU-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.78
Rot. Bonds2

About 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 788084) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID788084
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1c(O)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O
InChIInChI=1S/C14H13N5O2/c1-7-11(20)17-14(18-12(7)21)19-13-15-8(2)9-5-3-4-6-10(9)16-13/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21)
InChIKeyKTGRYUMNDZOUNU-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 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 788084) is 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is Cc1c(O)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is KTGRYUMNDZOUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-7-11(20)17-14(18-12(7)21)19-13-15-8(2)9-5-3-4-6-10(9)16-13/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21).
What are the key properties of 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-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 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 788084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).