4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one

C14H11N3OS — CID 5337893

IUPAC4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCSc1nc(-c2ccccc2)nc2[nH]ccc(=O)c12
InChIInChI=1S/C14H11N3OS/c1-19-14-11-10(18)7-8-15-13(11)16-12(17-14)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18)
InChIKeyLYGKJZAOKPGDQQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.71
Rot. Bonds2

About 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one

4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 5337893) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID5337893
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCSc1nc(-c2ccccc2)nc2[nH]ccc(=O)c12
InChIInChI=1S/C14H11N3OS/c1-19-14-11-10(18)7-8-15-13(11)16-12(17-14)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18)
InChIKeyLYGKJZAOKPGDQQ-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one (CID 5337893) is 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one is CSc1nc(-c2ccccc2)nc2[nH]ccc(=O)c12.
What is the InChIKey of 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is LYGKJZAOKPGDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-19-14-11-10(18)7-8-15-13(11)16-12(17-14)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 269.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 5337893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).