N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C10H15N3O2 — CID 110848284

IUPACN-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-3-4-5-11-9(14)8-6-12-7(2)13-10(8)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyOZBOVKQLBASIFO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds4

About N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110848284) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110848284
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-3-4-5-11-9(14)8-6-12-7(2)13-10(8)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyOZBOVKQLBASIFO-UHFFFAOYSA-N
XLogP0.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-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

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
5-Acetyl-2-methylpyrimidin-4(3H)-one
CID 12194767
2-Tert-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 70787534
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
3-Carbamoyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine
CID 20438499
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110848284) is N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OZBOVKQLBASIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-5-11-9(14)8-6-12-7(2)13-10(8)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,13,15).
What are the key properties of N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110848284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).