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

C22H21N3O3 — CID 135577728

IUPAC(5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccc(COc2ccc([C@H]3CC(=O)Nc4nc(C)[nH]c(=O)c43)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-13-3-5-15(6-4-13)12-28-17-9-7-16(8-10-17)18-11-19(26)25-21-20(18)22(27)24-14(2)23-21/h3-10,18H,11-12H2,1-2H3,(H2,23,24,25,26,27)/t18-/m1/s1
InChIKeyBEUMISMMWVWLPB-GOSISDBHSA-N
MW375.43 g/mol
LogP3.44
Rot. Bonds4

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

(5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135577728) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name(5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135577728
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccc(COc2ccc([C@H]3CC(=O)Nc4nc(C)[nH]c(=O)c43)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-13-3-5-15(6-4-13)12-28-17-9-7-16(8-10-17)18-11-19(26)25-21-20(18)22(27)24-14(2)23-21/h3-10,18H,11-12H2,1-2H3,(H2,23,24,25,26,27)/t18-/m1/s1
InChIKeyBEUMISMMWVWLPB-GOSISDBHSA-N
XLogP3.44
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2-amino-5-[4-[(3-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136909874
(5S)-5-[4-[(3-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136767556
2-amino-5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135511606
(5S)-2-methyl-5-(4-nitrophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135577758
2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135621321
(5S)-5-(3-methoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135577791
(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136759813
5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652561
(5R)-5-(4-butoxyphenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136910040
2-methylsulfanyl-5-(4-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 166937516
(5S)-2-methylsulfanyl-5-(4-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557297
(5S)-5-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135577637

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135577728) is (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Cc1ccc(COc2ccc([C@H]3CC(=O)Nc4nc(C)[nH]c(=O)c43)cc2)cc1.
What is the InChIKey of (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BEUMISMMWVWLPB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-3-5-15(6-4-13)12-28-17-9-7-16(8-10-17)18-11-19(26)25-21-20(18)22(27)24-14(2)23-21/h3-10,18H,11-12H2,1-2H3,(H2,23,24,25,26,27)/t18-/m1/s1.
What are the key properties of (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
(5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 375.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-[4-[(4-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135577728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).