2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide

C13H15N5O2 — CID 167849047

IUPAC2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H15N5O2/c19-11-7-10(16-12(17-11)9-1-2-9)13(20)15-4-6-18-5-3-14-8-18/h3,5,7-9H,1-2,4,6H2,(H,15,20)(H,16,17,19)
InChIKeyCFOUBFIAVMUDOW-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.27
Rot. Bonds5

About 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 167849047) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID167849047
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H15N5O2/c19-11-7-10(16-12(17-11)9-1-2-9)13(20)15-4-6-18-5-3-14-8-18/h3,5,7-9H,1-2,4,6H2,(H,15,20)(H,16,17,19)
InChIKeyCFOUBFIAVMUDOW-UHFFFAOYSA-N
XLogP0.27
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
2-cyclopropyl-N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 167970440
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 25278720
5-hydrazinyl-N-(2-imidazol-1-ylethyl)pyrazine-2-carboxamide
CID 107378052
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 86286424
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
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-(aminomethyl)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66376914

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 167849047) is 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NCCn1ccnc1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is CFOUBFIAVMUDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-11-7-10(16-12(17-11)9-1-2-9)13(20)15-4-6-18-5-3-14-8-18/h3,5,7-9H,1-2,4,6H2,(H,15,20)(H,16,17,19).
What are the key properties of 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 167849047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).