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

C9H13N3O2 — CID 110848283

IUPACN-butyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-2-3-4-11-8(13)7-5-10-6-12-9(7)14/h5-6H,2-4H2,1H3,(H,11,13)(H,10,12,14)
InChIKeyLVESOMMUZYXFFZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds4

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

N-butyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110848283) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-butyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110848283
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-butyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-2-3-4-11-8(13)7-5-10-6-12-9(7)14/h5-6H,2-4H2,1H3,(H,11,13)(H,10,12,14)
InChIKeyLVESOMMUZYXFFZ-UHFFFAOYSA-N
XLogP0.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110848283) is N-butyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-6-oxo-1H-pyrimidine-5-carboxamide is CCCCNC(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-butyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LVESOMMUZYXFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-3-4-11-8(13)7-5-10-6-12-9(7)14/h5-6H,2-4H2,1H3,(H,11,13)(H,10,12,14).
What are the key properties of N-butyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-butyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110848283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).