5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine

C7H12N4O2S — CID 90176676

IUPAC5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)CCc1cnc(N)nc1N
InChIInChI=1S/C7H12N4O2S/c1-14(12,13)3-2-5-4-10-7(9)11-6(5)8/h4H,2-3H2,1H3,(H4,8,9,10,11)
InChIKeyREZYIBOIUZXQOT-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.77
Rot. Bonds3

About 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine

5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine (PubChem CID 90176676) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
PubChem CID90176676
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)CCc1cnc(N)nc1N
InChIInChI=1S/C7H12N4O2S/c1-14(12,13)3-2-5-4-10-7(9)11-6(5)8/h4H,2-3H2,1H3,(H4,8,9,10,11)
InChIKeyREZYIBOIUZXQOT-UHFFFAOYSA-N
XLogP-0.77
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine (CID 90176676) is 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine is CS(=O)(=O)CCc1cnc(N)nc1N.
What is the InChIKey of 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine?
The InChIKey is REZYIBOIUZXQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-14(12,13)3-2-5-4-10-7(9)11-6(5)8/h4H,2-3H2,1H3,(H4,8,9,10,11).
What are the key properties of 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine?
5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine has a molecular weight of 216.27 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 90176676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).