5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C27H23N3O3 — CID 135652561

IUPAC5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccccc1COc1ccc(C2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1
InChIInChI=1S/C27H23N3O3/c1-17-7-5-6-10-20(17)16-33-21-13-11-18(12-14-21)22-15-23(31)28-26-24(22)27(32)30-25(29-26)19-8-3-2-4-9-19/h2-14,22H,15-16H2,1H3,(H2,28,29,30,31,32)
InChIKeyYNEUGJCGXNCEBK-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.80
Rot. Bonds5

About 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135652561) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135652561
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccccc1COc1ccc(C2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1
InChIInChI=1S/C27H23N3O3/c1-17-7-5-6-10-20(17)16-33-21-13-11-18(12-14-21)22-15-23(31)28-26-24(22)27(32)30-25(29-26)19-8-3-2-4-9-19/h2-14,22H,15-16H2,1H3,(H2,28,29,30,31,32)
InChIKeyYNEUGJCGXNCEBK-UHFFFAOYSA-N
XLogP4.80
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135621321
(5S)-5-[4-[(3-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136767556
(5R)-5-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135860355
5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135651930
(5R)-5-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137046016
(5S)-5-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135577649
(5S)-5-(3-hydroxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774787
(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774706
(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774801
(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774740
(5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135577728
5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135651890

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135652561) is 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Cc1ccccc1COc1ccc(C2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1.
What is the InChIKey of 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is YNEUGJCGXNCEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-17-7-5-6-10-20(17)16-33-21-13-11-18(12-14-21)22-15-23(31)28-26-24(22)27(32)30-25(29-26)19-8-3-2-4-9-19/h2-14,22H,15-16H2,1H3,(H2,28,29,30,31,32).
What are the key properties of 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 437.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135652561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).