N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C10H15N3O2 — CID 110855763

IUPACN-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-3-4-5-13(2)10(15)8-6-11-7-12-9(8)14/h6-7H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyLNAZNIHONLHNTF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.64
Rot. Bonds4

About N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110855763) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110855763
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-3-4-5-13(2)10(15)8-6-11-7-12-9(8)14/h6-7H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyLNAZNIHONLHNTF-UHFFFAOYSA-N
XLogP0.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-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

3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
1-Methyl-6-oxopyrimidine-5-carboxamide
CID 141080907
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080911
N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080912
N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080913
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110855763) is N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LNAZNIHONLHNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-5-13(2)10(15)8-6-11-7-12-9(8)14/h6-7H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110855763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).