2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one

C9H15N3O — CID 18334338

IUPAC2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one
SMILESCCc1nc(NC)c(C)c(=O)n1C
InChIInChI=1S/C9H15N3O/c1-5-7-11-8(10-3)6(2)9(13)12(7)4/h10H,5H2,1-4H3
InChIKeyVECLNGNMFSXSBU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds2

About 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one

2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one (PubChem CID 18334338) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one
PubChem CID18334338
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one
SMILESCCc1nc(NC)c(C)c(=O)n1C
InChIInChI=1S/C9H15N3O/c1-5-7-11-8(10-3)6(2)9(13)12(7)4/h10H,5H2,1-4H3
InChIKeyVECLNGNMFSXSBU-UHFFFAOYSA-N
XLogP0.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-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

3-Ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334352
5-Ethyl-2,3-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334367
6-(Ethylamino)-2,3,5-trimethylpyrimidin-4-one
CID 18334378
2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one
CID 135682069
4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135797587
4-[di(propan-2-yl)amino]-2,5-dimethyl-1H-pyrimidin-6-one
CID 136023885
4-(ethylamino)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136081902
2-ethyl-4-(methylamino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 142673329
4-(dimethylamino)-2,5-dimethyl-1H-pyrimidin-6-one
CID 170231364
2,3-Dimethyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83873636
3-Ethyl-2-methyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83875795
6-Amino-2-ethyl-5-methyl-3,4-dihydropyrimidin-4-one
CID 136077498

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one?
The IUPAC name of 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one (CID 18334338) is 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one?
The canonical SMILES for 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one is CCc1nc(NC)c(C)c(=O)n1C.
What is the InChIKey of 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one?
The InChIKey is VECLNGNMFSXSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-7-11-8(10-3)6(2)9(13)12(7)4/h10H,5H2,1-4H3.
What are the key properties of 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one?
2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one is sourced from PubChem (CID 18334338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).