6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine

C10H13N5O2S — CID 90161199

IUPAC6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C10H13N5O2S/c1-6-4-8(12-9-5-7(2)14-15-9)13-10(11-6)18(3,16)17/h4-5H,1-3H3,(H2,11,12,13,14,15)
InChIKeyPGBPZSDNABRSDY-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.96
Rot. Bonds3

About 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine (PubChem CID 90161199) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine
PubChem CID90161199
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C10H13N5O2S/c1-6-4-8(12-9-5-7(2)14-15-9)13-10(11-6)18(3,16)17/h4-5H,1-3H3,(H2,11,12,13,14,15)
InChIKeyPGBPZSDNABRSDY-UHFFFAOYSA-N
XLogP0.96
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine (CID 90161199) is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is PGBPZSDNABRSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-6-4-8(12-9-5-7(2)14-15-9)13-10(11-6)18(3,16)17/h4-5H,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine?
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 267.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 90161199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).