8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C18H20N4O2S — CID 58664273

IUPAC8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(Cc3nc(C)co3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C18H20N4O2S/c1-11-10-24-15(20-11)8-12-7-13-9-19-18(25-2)21-16(13)22(17(12)23)14-5-3-4-6-14/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyLRRATFPARBXMLO-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.52
Rot. Bonds4

About 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 58664273) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID58664273
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(Cc3nc(C)co3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C18H20N4O2S/c1-11-10-24-15(20-11)8-12-7-13-9-19-18(25-2)21-16(13)22(17(12)23)14-5-3-4-6-14/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyLRRATFPARBXMLO-UHFFFAOYSA-N
XLogP3.52
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 58664273) is 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2cc(Cc3nc(C)co3)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LRRATFPARBXMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-10-24-15(20-11)8-12-7-13-9-19-18(25-2)21-16(13)22(17(12)23)14-5-3-4-6-14/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 356.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58664273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).