5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

C19H26N4O2 — CID 167999035

IUPAC5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/CCC1=CCCCC1
InChIInChI=1S/C19H26N4O2/c1-4-14-12-21-17-15(18(24)23(3)19(25)22(17)2)16(14)20-11-10-13-8-6-5-7-9-13/h8,12,15H,4-7,9-11H2,1-3H3/b20-16+
InChIKeyIPUDRGLCKIMTTB-CAPFRKAQSA-N
MW342.44 g/mol
LogP3.16
Rot. Bonds4

About 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 167999035) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID167999035
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/CCC1=CCCCC1
InChIInChI=1S/C19H26N4O2/c1-4-14-12-21-17-15(18(24)23(3)19(25)22(17)2)16(14)20-11-10-13-8-6-5-7-9-13/h8,12,15H,4-7,9-11H2,1-3H3/b20-16+
InChIKeyIPUDRGLCKIMTTB-CAPFRKAQSA-N
XLogP3.16
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione 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

6-ethyl-5-[2-(2-methoxyphenyl)ethylimino]-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
CID 167998582
(1S,2S,6S,7S)-4-[2-(cyclohexen-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306611
2-[2-(cyclohexen-1-yl)ethyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 107851410
(5S)-1-butyl-5-[N-[2-(cyclohexen-1-yl)ethyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7462064
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one
CID 82158446
ethyl 3-(cyclohepten-1-yl)propanoate
CID 135031394
N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 95502097
1-butylcyclononene
CID 56981158
2-(cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452
2-[2-(cyclohexen-1-yl)ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111025065
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140440

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione (CID 167999035) is 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione is CCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/CCC1=CCCCC1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IPUDRGLCKIMTTB-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-14-12-21-17-15(18(24)23(3)19(25)22(17)2)16(14)20-11-10-13-8-6-5-7-9-13/h8,12,15H,4-7,9-11H2,1-3H3/b20-16+.
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167999035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).