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

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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).