5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

C15H19N3O3 — CID 73259610

IUPAC5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(C2CCNC3C2C(=O)NC(=O)N3C)c1
InChIInChI=1S/C15H19N3O3/c1-18-13-12(14(19)17-15(18)20)11(6-7-16-13)9-4-3-5-10(8-9)21-2/h3-5,8,11-13,16H,6-7H2,1-2H3,(H,17,19,20)
InChIKeyVELUIYAPEXTOCH-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.90
Rot. Bonds2

About 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 73259610) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID73259610
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(C2CCNC3C2C(=O)NC(=O)N3C)c1
InChIInChI=1S/C15H19N3O3/c1-18-13-12(14(19)17-15(18)20)11(6-7-16-13)9-4-3-5-10(8-9)21-2/h3-5,8,11-13,16H,6-7H2,1-2H3,(H,17,19,20)
InChIKeyVELUIYAPEXTOCH-UHFFFAOYSA-N
XLogP0.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[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

[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
2-benzyl-3-(3-methoxyphenyl)pyrrolidine
CID 62720607
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 71301946
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione (CID 73259610) is 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione is COc1cccc(C2CCNC3C2C(=O)NC(=O)N3C)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VELUIYAPEXTOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-13-12(14(19)17-15(18)20)11(6-7-16-13)9-4-3-5-10(8-9)21-2/h3-5,8,11-13,16H,6-7H2,1-2H3,(H,17,19,20).
What are the key properties of 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 73259610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).