2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone

C14H15N3O — CID 5147485

IUPAC2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone
SMILES[H]/N=c1\cc(C)nc(C)n1CC(=O)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-10-8-14(15)17(11(2)16-10)9-13(18)12-6-4-3-5-7-12/h3-8,15H,9H2,1-2H3/b15-14+
InChIKeyKOQHFGHXZGGRQN-CCEZHUSRSA-N
MW241.29 g/mol
LogP1.86
Rot. Bonds3

About 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone

2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone (PubChem CID 5147485) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone
PubChem CID5147485
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone
SMILES[H]/N=c1\cc(C)nc(C)n1CC(=O)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-10-8-14(15)17(11(2)16-10)9-13(18)12-6-4-3-5-7-12/h3-8,15H,9H2,1-2H3/b15-14+
InChIKeyKOQHFGHXZGGRQN-CCEZHUSRSA-N
XLogP1.86
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone (CID 5147485) is 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone is [H]/N=c1\cc(C)nc(C)n1CC(=O)c1ccccc1.
What is the InChIKey of 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone?
The InChIKey is KOQHFGHXZGGRQN-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-8-14(15)17(11(2)16-10)9-13(18)12-6-4-3-5-7-12/h3-8,15H,9H2,1-2H3/b15-14+.
What are the key properties of 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone?
2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone has a molecular weight of 241.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone is sourced from PubChem (CID 5147485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).