2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one

C12H14N4O — CID 137015427

IUPAC2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCCc2cccnc2)cc(=O)[nH]1
InChIInChI=1S/C12H14N4O/c1-9-15-11(7-12(17)16-9)14-6-4-10-3-2-5-13-8-10/h2-3,5,7-8H,4,6H2,1H3,(H2,14,15,16,17)
InChIKeyNKIKIICXCAEKAJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.13
Rot. Bonds4

About 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one

2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 137015427) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
PubChem CID137015427
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCCc2cccnc2)cc(=O)[nH]1
InChIInChI=1S/C12H14N4O/c1-9-15-11(7-12(17)16-9)14-6-4-10-3-2-5-13-8-10/h2-3,5,7-8H,4,6H2,1H3,(H2,14,15,16,17)
InChIKeyNKIKIICXCAEKAJ-UHFFFAOYSA-N
XLogP1.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137015420
2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
CID 82239168
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
2,6-dichloro-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 59258790
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 47053519
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958951
6-N-ethyl-2-N-(2-pyridin-3-ylethyl)pyrazine-2,6-diamine
CID 78990149
2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956295
2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136993657
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one (CID 137015427) is 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one is Cc1nc(NCCc2cccnc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is NKIKIICXCAEKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-15-11(7-12(17)16-9)14-6-4-10-3-2-5-13-8-10/h2-3,5,7-8H,4,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137015427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).