6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide

C8H11N3O2 — CID 110847947

IUPAC6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-5(2)11-8(13)6-3-9-4-10-7(6)12/h3-5H,1-2H3,(H,11,13)(H,9,10,12)
InChIKeyFFGRBVWTOHMCQB-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.09
Rot. Bonds2

About 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide

6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 110847947) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID110847947
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-5(2)11-8(13)6-3-9-4-10-7(6)12/h3-5H,1-2H3,(H,11,13)(H,9,10,12)
InChIKeyFFGRBVWTOHMCQB-UHFFFAOYSA-N
XLogP-0.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
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
N-((1r,4r)-4-aminocyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132219876
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132228054
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
N-cyclopropyl-1,4-dihydropyrimidine-5-carboxamide
CID 68040207
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
1-Ethyl-6-oxopyrimidine-5-carboxamide
CID 155723614
2-amino-N-[2-(dimethylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 251395
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 110847947) is 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc[nH]c1=O.
What is the InChIKey of 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is FFGRBVWTOHMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)11-8(13)6-3-9-4-10-7(6)12/h3-5H,1-2H3,(H,11,13)(H,9,10,12).
What are the key properties of 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110847947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).