4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

C14H17N3OS — CID 141132976

IUPAC4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C2CCCCC2)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C14H17N3OS/c1-19-14-16-12(9-5-3-2-4-6-9)10-7-8-11(18)15-13(10)17-14/h7-9H,2-6H2,1H3,(H,15,16,17,18)
InChIKeyQUSQJFWSGXWNLZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.09
Rot. Bonds2

About 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141132976) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID141132976
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C2CCCCC2)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C14H17N3OS/c1-19-14-16-12(9-5-3-2-4-6-9)10-7-8-11(18)15-13(10)17-14/h7-9H,2-6H2,1H3,(H,15,16,17,18)
InChIKeyQUSQJFWSGXWNLZ-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 141132976) is 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CSc1nc(C2CCCCC2)c2ccc(=O)[nH]c2n1.
What is the InChIKey of 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QUSQJFWSGXWNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-19-14-16-12(9-5-3-2-4-6-9)10-7-8-11(18)15-13(10)17-14/h7-9H,2-6H2,1H3,(H,15,16,17,18).
What are the key properties of 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 275.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141132976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).