5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide

C18H17N5O3 — CID 177283468

IUPAC5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccn(C)c(=O)c2)nc(C(N)=O)c1N
InChIInChI=1S/C18H17N5O3/c1-9-3-4-11(24)8-12(9)15-14(19)16(17(20)26)22-18(21-15)10-5-6-23(2)13(25)7-10/h3-8,24H,19H2,1-2H3,(H2,20,26)
InChIKeyITUKRLWVAYEONH-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.20
Rot. Bonds3

About 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide

5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 177283468) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide
PubChem CID177283468
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccn(C)c(=O)c2)nc(C(N)=O)c1N
InChIInChI=1S/C18H17N5O3/c1-9-3-4-11(24)8-12(9)15-14(19)16(17(20)26)22-18(21-15)10-5-6-23(2)13(25)7-10/h3-8,24H,19H2,1-2H3,(H2,20,26)
InChIKeyITUKRLWVAYEONH-UHFFFAOYSA-N
XLogP1.20
TPSA137.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide (CID 177283468) is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2ccn(C)c(=O)c2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is ITUKRLWVAYEONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-9-3-4-11(24)8-12(9)15-14(19)16(17(20)26)22-18(21-15)10-5-6-23(2)13(25)7-10/h3-8,24H,19H2,1-2H3,(H2,20,26).
What are the key properties of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide?
5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methyl-2-oxo-4-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).