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

C21H26N4O — CID 110085460

IUPAC4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1cccc(CCN2C(=O)CCc3c(C)nc(C4CCNC4)nc32)c1
InChIInChI=1S/C21H26N4O/c1-14-4-3-5-16(12-14)9-11-25-19(26)7-6-18-15(2)23-20(24-21(18)25)17-8-10-22-13-17/h3-5,12,17,22H,6-11,13H2,1-2H3
InChIKeyTYJIMFQFBGRDMY-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.69
Rot. Bonds4

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

4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110085460) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110085460
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1cccc(CCN2C(=O)CCc3c(C)nc(C4CCNC4)nc32)c1
InChIInChI=1S/C21H26N4O/c1-14-4-3-5-16(12-14)9-11-25-19(26)7-6-18-15(2)23-20(24-21(18)25)17-8-10-22-13-17/h3-5,12,17,22H,6-11,13H2,1-2H3
InChIKeyTYJIMFQFBGRDMY-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125019326
8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124979409
4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124953697
4-methyl-8-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95806228
2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249292
4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 118741766
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629649
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124958766
2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629195
2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630896
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide
CID 92630139

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110085460) is 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1cccc(CCN2C(=O)CCc3c(C)nc(C4CCNC4)nc32)c1.
What is the InChIKey of 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TYJIMFQFBGRDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-4-3-5-16(12-14)9-11-25-19(26)7-6-18-15(2)23-20(24-21(18)25)17-8-10-22-13-17/h3-5,12,17,22H,6-11,13H2,1-2H3.
What are the key properties of 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 350.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110085460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).