3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one

C12H13N3O — CID 105468665

IUPAC3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2[nH]c(=O)c(N)cc2N)cc1
InChIInChI=1S/C12H13N3O/c1-7-2-4-8(5-3-7)11-9(13)6-10(14)12(16)15-11/h2-6H,13-14H2,1H3,(H,15,16)
InChIKeyVOPCJWBSJXCZKO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds1

About 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one

3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one (PubChem CID 105468665) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one
PubChem CID105468665
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2[nH]c(=O)c(N)cc2N)cc1
InChIInChI=1S/C12H13N3O/c1-7-2-4-8(5-3-7)11-9(13)6-10(14)12(16)15-11/h2-6H,13-14H2,1H3,(H,15,16)
InChIKeyVOPCJWBSJXCZKO-UHFFFAOYSA-N
XLogP1.51
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one (CID 105468665) is 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one is Cc1ccc(-c2[nH]c(=O)c(N)cc2N)cc1.
What is the InChIKey of 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one?
The InChIKey is VOPCJWBSJXCZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-2-4-8(5-3-7)11-9(13)6-10(14)12(16)15-11/h2-6H,13-14H2,1H3,(H,15,16).
What are the key properties of 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one?
3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 105468665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).