2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one

C21H26N6O — CID 25032975

IUPAC2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cnc1N(C)C
InChIInChI=1S/C21H26N6O/c1-12-9-14(11-23-18(12)26(3)4)17-10-16-13(2)24-21(22)25-19(16)27(20(17)28)15-7-5-6-8-15/h9-11,15H,5-8H2,1-4H3,(H2,22,24,25)
InChIKeyGOFSIDFUVFJQQS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.23
Rot. Bonds3

About 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 25032975) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID25032975
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cnc1N(C)C
InChIInChI=1S/C21H26N6O/c1-12-9-14(11-23-18(12)26(3)4)17-10-16-13(2)24-21(22)25-19(16)27(20(17)28)15-7-5-6-8-15/h9-11,15H,5-8H2,1-4H3,(H2,22,24,25)
InChIKeyGOFSIDFUVFJQQS-UHFFFAOYSA-N
XLogP3.23
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 25032975) is 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cnc1N(C)C.
What is the InChIKey of 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GOFSIDFUVFJQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-12-9-14(11-23-18(12)26(3)4)17-10-16-13(2)24-21(22)25-19(16)27(20(17)28)15-7-5-6-8-15/h9-11,15H,5-8H2,1-4H3,(H2,22,24,25).
What are the key properties of 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 378.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25032975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).