(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide

C15H21N3O2 — CID 124754580

IUPAC(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(C)n(CCNC(=O)[C@@H]2CC=CCC2)c(=O)n1
InChIInChI=1S/C15H21N3O2/c1-11-10-12(2)18(15(20)17-11)9-8-16-14(19)13-6-4-3-5-7-13/h3-4,10,13H,5-9H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyOJBQDBOMHHUAGT-CYBMUJFWSA-N
MW275.35 g/mol
LogP1.33
Rot. Bonds4

About (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 124754580) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID124754580
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(C)n(CCNC(=O)[C@@H]2CC=CCC2)c(=O)n1
InChIInChI=1S/C15H21N3O2/c1-11-10-12(2)18(15(20)17-11)9-8-16-14(19)13-6-4-3-5-7-13/h3-4,10,13H,5-9H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyOJBQDBOMHHUAGT-CYBMUJFWSA-N
XLogP1.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 138807911
(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
CID 136782473
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46995964
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492
(1S)-N-[2-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124892405
(1S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 95986255
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887087
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882354
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72863634
(1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 51984111
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 122564752

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 124754580) is (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide is Cc1cc(C)n(CCNC(=O)[C@@H]2CC=CCC2)c(=O)n1.
What is the InChIKey of (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is OJBQDBOMHHUAGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-10-12(2)18(15(20)17-11)9-8-16-14(19)13-6-4-3-5-7-13/h3-4,10,13H,5-9H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 124754580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).