8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C15H19N3O2S — CID 166640289

IUPAC8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
InChIInChI=1S/C15H19N3O2S/c1-9-7-10-8-16-14(21-3)17-12(10)18(13(9)19)11-5-4-6-15(11,2)20/h7-8,11,20H,4-6H2,1-3H3/t11-,15-/m1/s1
InChIKeyVWTPMQYMQOUEHG-IAQYHMDHSA-N
MW305.40 g/mol
LogP2.30
Rot. Bonds2

About 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 166640289) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID166640289
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
InChIInChI=1S/C15H19N3O2S/c1-9-7-10-8-16-14(21-3)17-12(10)18(13(9)19)11-5-4-6-15(11,2)20/h7-8,11,20H,4-6H2,1-3H3/t11-,15-/m1/s1
InChIKeyVWTPMQYMQOUEHG-IAQYHMDHSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 166640289) is 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1.
What is the InChIKey of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VWTPMQYMQOUEHG-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-7-10-8-16-14(21-3)17-12(10)18(13(9)19)11-5-4-6-15(11,2)20/h7-8,11,20H,4-6H2,1-3H3/t11-,15-/m1/s1.
What are the key properties of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 305.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166640289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).