4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C20H24N4O — CID 124964623

IUPAC4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4)nc32)cc1
InChIInChI=1S/C20H24N4O/c1-13-5-7-15(8-6-13)12-24-18(25)10-9-16-14(2)22-19(23-20(16)24)17-4-3-11-21-17/h5-8,17,21H,3-4,9-12H2,1-2H3/t17-/m1/s1
InChIKeyHYQDVHYQBZJDEI-QGZVFWFLSA-N
MW336.44 g/mol
LogP3.00
Rot. Bonds3

About 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 124964623) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID124964623
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4)nc32)cc1
InChIInChI=1S/C20H24N4O/c1-13-5-7-15(8-6-13)12-24-18(25)10-9-16-14(2)22-19(23-20(16)24)17-4-3-11-21-17/h5-8,17,21H,3-4,9-12H2,1-2H3/t17-/m1/s1
InChIKeyHYQDVHYQBZJDEI-QGZVFWFLSA-N
XLogP3.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-8-(2-methylpropyl)-2-[(2S)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124939665
4-methyl-8-[(4-methylphenyl)methyl]-2-[(2S)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629925
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 124967932
N-[2-[2-[4-methyl-8-[(4-methylphenyl)methyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110260865
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629310
8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 10247003
8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260868
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629298
8-[(3-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268442
8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260892
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629275
2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 124964623) is 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4)nc32)cc1.
What is the InChIKey of 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HYQDVHYQBZJDEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-5-7-15(8-6-13)12-24-18(25)10-9-16-14(2)22-19(23-20(16)24)17-4-3-11-21-17/h5-8,17,21H,3-4,9-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 336.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[(4-methylphenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 124964623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).