6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

C9H8BrN3OS — CID 59258909

IUPAC6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C)c2cc(Br)c(=O)[nH]c2n1
InChIInChI=1S/C9H8BrN3OS/c1-4-5-3-6(10)8(14)12-7(5)13-9(11-4)15-2/h3H,1-2H3,(H,11,12,13,14)
InChIKeyQHEMIXLWNUKUTQ-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.11
Rot. Bonds1

About 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258909) has the molecular formula C9H8BrN3OS and a molecular weight of 286.15 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258909
Molecular FormulaC9H8BrN3OS
Molecular Weight286.15 g/mol
Exact Mass284.96
IUPAC Name6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C)c2cc(Br)c(=O)[nH]c2n1
InChIInChI=1S/C9H8BrN3OS/c1-4-5-3-6(10)8(14)12-7(5)13-9(11-4)15-2/h3H,1-2H3,(H,11,12,13,14)
InChIKeyQHEMIXLWNUKUTQ-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 59258909) is 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CSc1nc(C)c2cc(Br)c(=O)[nH]c2n1.
What is the InChIKey of 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QHEMIXLWNUKUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3OS/c1-4-5-3-6(10)8(14)12-7(5)13-9(11-4)15-2/h3H,1-2H3,(H,11,12,13,14).
What are the key properties of 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 286.15 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).