5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide

C9H12N6O3S — CID 107605465

IUPAC5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2cn[nH]c2N)n1
InChIInChI=1S/C9H12N6O3S/c1-5-3-7(18-2)13-9(12-5)15-19(16,17)6-4-11-14-8(6)10/h3-4H,1-2H3,(H3,10,11,14)(H,12,13,15)
InChIKeyDHBFLHYWFDBENA-UHFFFAOYSA-N
MW284.30 g/mol
LogP-0.10
Rot. Bonds4

About 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 107605465) has the molecular formula C9H12N6O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID107605465
Molecular FormulaC9H12N6O3S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC Name5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2cn[nH]c2N)n1
InChIInChI=1S/C9H12N6O3S/c1-5-3-7(18-2)13-9(12-5)15-19(16,17)6-4-11-14-8(6)10/h3-4H,1-2H3,(H3,10,11,14)(H,12,13,15)
InChIKeyDHBFLHYWFDBENA-UHFFFAOYSA-N
XLogP-0.10
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 107603212
2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601008
N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104599523
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601166
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-sulfonamide
CID 107603209
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 104599534

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide (CID 107605465) is 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide is COc1cc(C)nc(NS(=O)(=O)c2cn[nH]c2N)n1.
What is the InChIKey of 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DHBFLHYWFDBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3S/c1-5-3-7(18-2)13-9(12-5)15-19(16,17)6-4-11-14-8(6)10/h3-4H,1-2H3,(H3,10,11,14)(H,12,13,15).
What are the key properties of 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 284.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107605465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).