N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

C12H19N3O2 — CID 71895239

IUPACN-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C12H19N3O2/c1-4-6-7-15(5-2)11(16)10-8-9(3)13-12(17)14-10/h8H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyQNUNEOAZXKSDMG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds5

About N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 71895239) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID71895239
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C12H19N3O2/c1-4-6-7-15(5-2)11(16)10-8-9(3)13-12(17)14-10/h8H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyQNUNEOAZXKSDMG-UHFFFAOYSA-N
XLogP1.34
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide 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

1-Butyl-4,6-dimethyl-2-oxopyrimidine
CID 175647238
N-ethyl-6-isobutyl-2-oxo-N-(2,2,2-trifluoroethyl)-1,2-dihydropyrimidine-4-carboxamide
CID 131916655
N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 70657681
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide
CID 121329879
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide
CID 121330083
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide
CID 121330092
(Z)-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330177
(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide
CID 121330183
(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide
CID 121330191
(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330197
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propylbut-3-enamide
CID 121330203
(Z)-N-butyl-4-(6-methyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330209

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 71895239) is N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is CCCCN(CC)C(=O)c1cc(C)[nH]c(=O)n1.
What is the InChIKey of N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is QNUNEOAZXKSDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-6-7-15(5-2)11(16)10-8-9(3)13-12(17)14-10/h8H,4-7H2,1-3H3,(H,13,14,17).
What are the key properties of N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 71895239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).