4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one

C12H13N3O3 — CID 139976151

IUPAC4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(C)c(Nc2nc(O)cc(=O)[nH]2)c1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-8(18-2)5-9(7)13-12-14-10(16)6-11(17)15-12/h3-6H,1-2H3,(H3,13,14,15,16,17)
InChIKeyQHLQYXAFHJUXDG-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.54
Rot. Bonds3

About 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one

4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one (PubChem CID 139976151) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one
PubChem CID139976151
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(C)c(Nc2nc(O)cc(=O)[nH]2)c1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-8(18-2)5-9(7)13-12-14-10(16)6-11(17)15-12/h3-6H,1-2H3,(H3,13,14,15,16,17)
InChIKeyQHLQYXAFHJUXDG-UHFFFAOYSA-N
XLogP1.54
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one (CID 139976151) is 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one is COc1ccc(C)c(Nc2nc(O)cc(=O)[nH]2)c1.
What is the InChIKey of 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is QHLQYXAFHJUXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-4-8(18-2)5-9(7)13-12-14-10(16)6-11(17)15-12/h3-6H,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one?
4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 247.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(5-methoxy-2-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 139976151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).