N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide

C16H21N3O2 — CID 74233383

IUPACN-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(C2CC2)[nH]c1=O)C1=CCCCC1
InChIInChI=1S/C16H21N3O2/c1-10(11-5-3-2-4-6-11)18-15(20)13-9-17-14(12-7-8-12)19-16(13)21/h5,9-10,12H,2-4,6-8H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyXJYIQJCNQJJNKF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.27
Rot. Bonds4

About N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 74233383) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID74233383
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(C2CC2)[nH]c1=O)C1=CCCCC1
InChIInChI=1S/C16H21N3O2/c1-10(11-5-3-2-4-6-11)18-15(20)13-9-17-14(12-7-8-12)19-16(13)21/h5,9-10,12H,2-4,6-8H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyXJYIQJCNQJJNKF-UHFFFAOYSA-N
XLogP2.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 164634372
N-cyclohexyl-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 166253059
2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126443243
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70785631
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358
2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97122212
2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126440228
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 119059165
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70747856
2-cyclopropyl-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 74247263

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 74233383) is N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide is CC(NC(=O)c1cnc(C2CC2)[nH]c1=O)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XJYIQJCNQJJNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(11-5-3-2-4-6-11)18-15(20)13-9-17-14(12-7-8-12)19-16(13)21/h5,9-10,12H,2-4,6-8H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 74233383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).