4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide

C9H12N6O2S — CID 167425693

IUPAC4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2nccc(N)n2)cn1
InChIInChI=1S/C9H12N6O2S/c1-14(2)18(16,17)15-6-7(5-12-15)9-11-4-3-8(10)13-9/h3-6H,1-2H3,(H2,10,11,13)
InChIKeyQSZIHQZZYJDWEW-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.42
Rot. Bonds3

About 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide

4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide (PubChem CID 167425693) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide.

Molecular Properties

Compound Name4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide
PubChem CID167425693
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2nccc(N)n2)cn1
InChIInChI=1S/C9H12N6O2S/c1-14(2)18(16,17)15-6-7(5-12-15)9-11-4-3-8(10)13-9/h3-6H,1-2H3,(H2,10,11,13)
InChIKeyQSZIHQZZYJDWEW-UHFFFAOYSA-N
XLogP-0.42
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine
CID 167425927
2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 167426029
4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide
CID 166681728
4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide
CID 170907700
4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-1-sulfonamide
CID 126480570
2-(1-ethylimidazol-4-yl)pyrimidin-4-amine
CID 130509154
[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 62250563
4-amino-N,N-dimethylpyrimidine-2-carboxamide
CID 117212988
2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine
CID 116795323
2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192811
2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142786204
methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate
CID 156541192

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide?
The IUPAC name of 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide (CID 167425693) is 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide.
What is the SMILES notation for 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide?
The canonical SMILES for 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide is CN(C)S(=O)(=O)n1cc(-c2nccc(N)n2)cn1.
What is the InChIKey of 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide?
The InChIKey is QSZIHQZZYJDWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-14(2)18(16,17)15-6-7(5-12-15)9-11-4-3-8(10)13-9/h3-6H,1-2H3,(H2,10,11,13).
What are the key properties of 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide?
4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide is sourced from PubChem (CID 167425693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).