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

C8H11N3O2 — CID 95916097

IUPAC6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-2-3-10-7(12)6-4-9-5-11-8(6)13/h4-5H,2-3H2,1H3,(H,10,12)(H,9,11,13)
InChIKeyWTSDGUQEBQLZMZ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.09
Rot. Bonds3

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

6-oxo-N-propyl-1H-pyrimidine-5-carboxamide (PubChem CID 95916097) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
PubChem CID95916097
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-2-3-10-7(12)6-4-9-5-11-8(6)13/h4-5H,2-3H2,1H3,(H,10,12)(H,9,11,13)
InChIKeyWTSDGUQEBQLZMZ-UHFFFAOYSA-N
XLogP-0.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
2-Tert-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 70787534
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
N-cyclopropyl-1,4-dihydropyrimidine-5-carboxamide
CID 68040207
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-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080912
N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080913

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide (CID 95916097) is 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide is CCCNC(=O)c1cnc[nH]c1=O.
What is the InChIKey of 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The InChIKey is WTSDGUQEBQLZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-3-10-7(12)6-4-9-5-11-8(6)13/h4-5H,2-3H2,1H3,(H,10,12)(H,9,11,13).
What are the key properties of 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
6-oxo-N-propyl-1H-pyrimidine-5-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95916097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).