6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

C18H18N4O — CID 25239662

IUPAC6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1
InChIInChI=1S/C18H18N4O/c1-13-4-6-14(7-5-13)22-11-8-16-15(17(22)23)12-19-18(20-16)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3
InChIKeyJOJLYRSIAGMLCY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.69
Rot. Bonds2

About 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 25239662) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID25239662
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1
InChIInChI=1S/C18H18N4O/c1-13-4-6-14(7-5-13)22-11-8-16-15(17(22)23)12-19-18(20-16)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3
InChIKeyJOJLYRSIAGMLCY-UHFFFAOYSA-N
XLogP2.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 30467452
6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 25251774
6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 30467389
2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one
CID 46397650
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039
N-(2-morpholin-4-yl-5-oxopyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 17198708
ethane;2-(4-methylphenyl)isoquinolin-1-one
CID 91168676
6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 44616049
2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one
CID 44616046
2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 71690421
2-(azepan-1-yl)-5-(4-methylphenyl)sulfonylpyrimidin-4-amine
CID 53490639
9-amino-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[b][1,6]naphthyridin-1-one
CID 2838610

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (CID 25239662) is 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is Cc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is JOJLYRSIAGMLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-4-6-14(7-5-13)22-11-8-16-15(17(22)23)12-19-18(20-16)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 306.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 25239662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).