2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide

C16H21N5O2 — CID 126440228

IUPAC2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1nccn1C
InChIInChI=1S/C16H21N5O2/c1-3-4-12(14-17-7-8-21(14)2)19-15(22)11-9-18-13(10-5-6-10)20-16(11)23/h7-10,12H,3-6H2,1-2H3,(H,19,22)(H,18,20,23)/t12-/m1/s1
InChIKeyOJLFFLGZJHLJAH-GFCCVEGCSA-N
MW315.38 g/mol
LogP1.65
Rot. Bonds6

About 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 126440228) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID126440228
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1nccn1C
InChIInChI=1S/C16H21N5O2/c1-3-4-12(14-17-7-8-21(14)2)19-15(22)11-9-18-13(10-5-6-10)20-16(11)23/h7-10,12H,3-6H2,1-2H3,(H,19,22)(H,18,20,23)/t12-/m1/s1
InChIKeyOJLFFLGZJHLJAH-GFCCVEGCSA-N
XLogP1.65
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126443243
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014
3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
CID 91797052
N-cyclohexyl-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 166253059
3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 122571901
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125173578
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 74233383

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 126440228) is 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide is CCC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1nccn1C.
What is the InChIKey of 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OJLFFLGZJHLJAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-4-12(14-17-7-8-21(14)2)19-15(22)11-9-18-13(10-5-6-10)20-16(11)23/h7-10,12H,3-6H2,1-2H3,(H,19,22)(H,18,20,23)/t12-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 126440228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).