5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

C12H14N4O2S — CID 1488188

IUPAC5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C12H14N4O2S/c1-16(2)12-14-8-10(11(13)15-12)19(17,18)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15)
InChIKeyOIKGPASQDTZGOZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.96
Rot. Bonds3

About 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 1488188) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID1488188
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C12H14N4O2S/c1-16(2)12-14-8-10(11(13)15-12)19(17,18)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15)
InChIKeyOIKGPASQDTZGOZ-UHFFFAOYSA-N
XLogP0.96
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 1488188) is 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1.
What is the InChIKey of 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is OIKGPASQDTZGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16(2)12-14-8-10(11(13)15-12)19(17,18)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15).
What are the key properties of 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 278.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 1488188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).