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

C13H13N3O3S — CID 44580907

IUPAC(6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone
SMILESCc1c(N)nc(S(C)(=O)=O)nc1C(=O)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-8-10(11(17)9-6-4-3-5-7-9)15-13(16-12(8)14)20(2,18)19/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyKTKLAJUVKKJULP-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.00
Rot. Bonds3

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

(6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone (PubChem CID 44580907) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone
PubChem CID44580907
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name(6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone
SMILESCc1c(N)nc(S(C)(=O)=O)nc1C(=O)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-8-10(11(17)9-6-4-3-5-7-9)15-13(16-12(8)14)20(2,18)19/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyKTKLAJUVKKJULP-UHFFFAOYSA-N
XLogP1.00
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone?
The IUPAC name of (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone (CID 44580907) is (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone.
What is the SMILES notation for (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone?
The canonical SMILES for (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone is Cc1c(N)nc(S(C)(=O)=O)nc1C(=O)c1ccccc1.
What is the InChIKey of (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone?
The InChIKey is KTKLAJUVKKJULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8-10(11(17)9-6-4-3-5-7-9)15-13(16-12(8)14)20(2,18)19/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone?
(6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone has a molecular weight of 291.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2-methylsulfonylpyrimidin-4-yl)-phenylmethanone is sourced from PubChem (CID 44580907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).