2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide

C13H15N3O3 — CID 167759812

IUPAC2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
SMILESO=C1CC(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H15N3O3/c17-9-3-7(4-9)6-14-13(19)10-5-11(18)16-12(15-10)8-1-2-8/h5,7-8H,1-4,6H2,(H,14,19)(H,15,16,18)
InChIKeyNOZSDOLGTYFBGA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.36
Rot. Bonds4

About 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide

2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide (PubChem CID 167759812) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
PubChem CID167759812
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
SMILESO=C1CC(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H15N3O3/c17-9-3-7(4-9)6-14-13(19)10-5-11(18)16-12(15-10)8-1-2-8/h5,7-8H,1-4,6H2,(H,14,19)(H,15,16,18)
InChIKeyNOZSDOLGTYFBGA-UHFFFAOYSA-N
XLogP0.36
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167849047
2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 146589899
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138004806
2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138005065
2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide
CID 154876512
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
2-cyclopropyl-N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 167970440
2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide
CID 166265824
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide (CID 167759812) is 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide is O=C1CC(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is NOZSDOLGTYFBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-9-3-7(4-9)6-14-13(19)10-5-11(18)16-12(15-10)8-1-2-8/h5,7-8H,1-4,6H2,(H,14,19)(H,15,16,18).
What are the key properties of 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 167759812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).