N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

C13H17N3O2 — CID 75388090

IUPACN-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCC2)nc(=O)[nH]1
InChIInChI=1S/C13H17N3O2/c1-9-8-11(16-13(18)15-9)12(17)14-7-6-10-4-2-3-5-10/h4,8H,2-3,5-7H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyWWEAPPXJHUTVDP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.31
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 75388090) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID75388090
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCC2)nc(=O)[nH]1
InChIInChI=1S/C13H17N3O2/c1-9-8-11(16-13(18)15-9)12(17)14-7-6-10-4-2-3-5-10/h4,8H,2-3,5-7H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyWWEAPPXJHUTVDP-UHFFFAOYSA-N
XLogP1.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.31
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-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 71895239
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide
CID 9400049
N-(2-cyclohex-1-en-1-ylethyl)-3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)propanamide
CID 50980355
N-(Cyclohex-1-EN-1-ylmethyl)-3-(2-hydroxy-4,6-dimethylpyrimidin-5-YL)propanamide
CID 56740530
6-isobutyl-4-[(4-methyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]pyrimidin-2(1H)-one
CID 77088383
N-(3-aminopropyl)-6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 90647366
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114618580
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(E)-pent-3-enyl]acetamide
CID 116036740
N-but-3-enyl-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 116037268
6-tert-butyl-N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 118785130
N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 127010939
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 129617785

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 75388090) is N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC2=CCCC2)nc(=O)[nH]1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is WWEAPPXJHUTVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-8-11(16-13(18)15-9)12(17)14-7-6-10-4-2-3-5-10/h4,8H,2-3,5-7H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 75388090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).