6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine

C6H10N4O2S — CID 83852131

IUPAC6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(N)cc(CN)n1
InChIInChI=1S/C6H10N4O2S/c1-13(11,12)6-9-4(3-7)2-5(8)10-6/h2H,3,7H2,1H3,(H2,8,9,10)
InChIKeyHIHZBESXIZHLBK-UHFFFAOYSA-N
MW202.24 g/mol
LogP-1.08
Rot. Bonds2

About 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine

6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine (PubChem CID 83852131) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine
PubChem CID83852131
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(N)cc(CN)n1
InChIInChI=1S/C6H10N4O2S/c1-13(11,12)6-9-4(3-7)2-5(8)10-6/h2H,3,7H2,1H3,(H2,8,9,10)
InChIKeyHIHZBESXIZHLBK-UHFFFAOYSA-N
XLogP-1.08
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine (CID 83852131) is 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine is CS(=O)(=O)c1nc(N)cc(CN)n1.
What is the InChIKey of 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is HIHZBESXIZHLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-13(11,12)6-9-4(3-7)2-5(8)10-6/h2H,3,7H2,1H3,(H2,8,9,10).
What are the key properties of 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine?
6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 202.24 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 83852131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).