2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide

C9H12N6O2S — CID 55043689

IUPAC2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccn(C)n2)cn1
InChIInChI=1S/C9H12N6O2S/c1-10-9-11-5-7(6-12-9)18(16,17)14-8-3-4-15(2)13-8/h3-6H,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyVZHUVADCCWXBHY-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.05
Rot. Bonds4

About 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide

2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide (PubChem CID 55043689) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide
PubChem CID55043689
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccn(C)n2)cn1
InChIInChI=1S/C9H12N6O2S/c1-10-9-11-5-7(6-12-9)18(16,17)14-8-3-4-15(2)13-8/h3-6H,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyVZHUVADCCWXBHY-UHFFFAOYSA-N
XLogP0.05
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216
4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54921777
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
N-(2,6-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144941
5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 64602431
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
2-hydrazinyl-N-(1-methylpyrazol-3-yl)pyridine-3-sulfonamide
CID 60809974
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide (CID 55043689) is 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2ccn(C)n2)cn1.
What is the InChIKey of 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide?
The InChIKey is VZHUVADCCWXBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-10-9-11-5-7(6-12-9)18(16,17)14-8-3-4-15(2)13-8/h3-6H,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide?
2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 55043689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).