(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone

C13H13N3OS — CID 44580882

IUPAC(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone
SMILESCSc1nc(N)c(C)c(C(=O)c2ccccc2)n1
InChIInChI=1S/C13H13N3OS/c1-8-10(15-13(18-2)16-12(8)14)11(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyHOYRYYGERKXCBM-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.32
Rot. Bonds3

About (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone

(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone (PubChem CID 44580882) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone
PubChem CID44580882
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone
SMILESCSc1nc(N)c(C)c(C(=O)c2ccccc2)n1
InChIInChI=1S/C13H13N3OS/c1-8-10(15-13(18-2)16-12(8)14)11(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyHOYRYYGERKXCBM-UHFFFAOYSA-N
XLogP2.32
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone?
The IUPAC name of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone (CID 44580882) is (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone.
What is the SMILES notation for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone?
The canonical SMILES for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone is CSc1nc(N)c(C)c(C(=O)c2ccccc2)n1.
What is the InChIKey of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone?
The InChIKey is HOYRYYGERKXCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-10(15-13(18-2)16-12(8)14)11(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone?
(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone has a molecular weight of 259.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone is sourced from PubChem (CID 44580882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).