2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one

C14H19N3O — CID 164998185

IUPAC2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCCC1=C(C)C=C(C)N(c2ncc(C)c(=O)[nH]2)C1
InChIInChI=1S/C14H19N3O/c1-5-12-8-17(11(4)6-9(12)2)14-15-7-10(3)13(18)16-14/h6-7H,5,8H2,1-4H3,(H,15,16,18)
InChIKeyHVRGASBDVMAMNP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one

2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 164998185) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID164998185
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCCC1=C(C)C=C(C)N(c2ncc(C)c(=O)[nH]2)C1
InChIInChI=1S/C14H19N3O/c1-5-12-8-17(11(4)6-9(12)2)14-15-7-10(3)13(18)16-14/h6-7H,5,8H2,1-4H3,(H,15,16,18)
InChIKeyHVRGASBDVMAMNP-UHFFFAOYSA-N
XLogP2.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one (CID 164998185) is 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one is CCC1=C(C)C=C(C)N(c2ncc(C)c(=O)[nH]2)C1.
What is the InChIKey of 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is HVRGASBDVMAMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-12-8-17(11(4)6-9(12)2)14-15-7-10(3)13(18)16-14/h6-7H,5,8H2,1-4H3,(H,15,16,18).
What are the key properties of 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one?
2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 245.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 164998185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).