4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one

C9H10N4OS — CID 122442195

IUPAC4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1nc(N)c2c(=O)n(C)ccc2n1
InChIInChI=1S/C9H10N4OS/c1-13-4-3-5-6(8(13)14)7(10)12-9(11-5)15-2/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyKYAWQPKWAZAHRO-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.63
Rot. Bonds1

About 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one

4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 122442195) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
PubChem CID122442195
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1nc(N)c2c(=O)n(C)ccc2n1
InChIInChI=1S/C9H10N4OS/c1-13-4-3-5-6(8(13)14)7(10)12-9(11-5)15-2/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyKYAWQPKWAZAHRO-UHFFFAOYSA-N
XLogP0.63
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (CID 122442195) is 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is CSc1nc(N)c2c(=O)n(C)ccc2n1.
What is the InChIKey of 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is KYAWQPKWAZAHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-13-4-3-5-6(8(13)14)7(10)12-9(11-5)15-2/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 222.27 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 122442195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).