6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one

C21H24N4O — CID 11703006

IUPAC6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)c1ncc2cc(Cc3ccccc3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C21H24N4O/c1-24(2)21-22-14-17-13-16(12-15-8-4-3-5-9-15)20(26)25(19(17)23-21)18-10-6-7-11-18/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3
InChIKeyTXOPBWBLMKOREG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.56
Rot. Bonds4

About 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one

6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 11703006) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID11703006
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)c1ncc2cc(Cc3ccccc3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C21H24N4O/c1-24(2)21-22-14-17-13-16(12-15-8-4-3-5-9-15)20(26)25(19(17)23-21)18-10-6-7-11-18/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3
InChIKeyTXOPBWBLMKOREG-UHFFFAOYSA-N
XLogP3.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
2-amino-6-(2,6-dichlorophenyl)-8-ethyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328625
2-amino-6-(2,6-dichlorophenyl)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328626
2-amino-8-butyl-6-(2,6-dichlorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328627
2-amino-6-(2,6-dichlorophenyl)-8-isobutyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328628
2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328634
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 11703006) is 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one is CN(C)c1ncc2cc(Cc3ccccc3)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TXOPBWBLMKOREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24(2)21-22-14-17-13-16(12-15-8-4-3-5-9-15)20(26)25(19(17)23-21)18-10-6-7-11-18/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3.
What are the key properties of 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one?
6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 348.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11703006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).