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

C20H21N3O2 — CID 73259374

IUPAC1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1C(=O)NC(=O)C2C(c3ccc(-c4ccccc4)cc3)CCNC21
InChIInChI=1S/C20H21N3O2/c1-23-18-17(19(24)22-20(23)25)16(11-12-21-18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-18,21H,11-12H2,1H3,(H,22,24,25)
InChIKeyCQPCIKLPDHTTKH-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.55
Rot. Bonds2

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

1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 73259374) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID73259374
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1C(=O)NC(=O)C2C(c3ccc(-c4ccccc4)cc3)CCNC21
InChIInChI=1S/C20H21N3O2/c1-23-18-17(19(24)22-20(23)25)16(11-12-21-18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-18,21H,11-12H2,1H3,(H,22,24,25)
InChIKeyCQPCIKLPDHTTKH-UHFFFAOYSA-N
XLogP2.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
CID 73259610
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
CID 66106755
2-(4-methylpiperazin-1-yl)-5-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 85464597
(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
CID 3065195
(3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one
CID 14913239
methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate
CID 173061877
5-(4-ethylphenyl)-1-methyl-5,6,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 74925703
4-(4-phenylphenyl)-3-propylpiperidine
CID 79310826
(3aR,6aS)-5-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 67757259
2-ethyl-3-phenylpyrrolidine
CID 62354556
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione (CID 73259374) is 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione is CN1C(=O)NC(=O)C2C(c3ccc(-c4ccccc4)cc3)CCNC21.
What is the InChIKey of 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CQPCIKLPDHTTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23-18-17(19(24)22-20(23)25)16(11-12-21-18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-18,21H,11-12H2,1H3,(H,22,24,25).
What are the key properties of 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-phenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 73259374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).