N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H15N5O3S — CID 104599523

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C11H15N5O3S/c1-6-5-9(19-4)13-11(12-6)16-20(17,18)10-7(2)14-15-8(10)3/h5H,1-4H3,(H,14,15)(H,12,13,16)
InChIKeyKJKYJZNSQJARQM-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.93
Rot. Bonds4

About N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 104599523) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID104599523
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C11H15N5O3S/c1-6-5-9(19-4)13-11(12-6)16-20(17,18)10-7(2)14-15-8(10)3/h5H,1-4H3,(H,14,15)(H,12,13,16)
InChIKeyKJKYJZNSQJARQM-UHFFFAOYSA-N
XLogP0.93
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26949775
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122294781
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 104599534
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106089355

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 104599523) is N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1cc(C)nc(NS(=O)(=O)c2c(C)n[nH]c2C)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KJKYJZNSQJARQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-6-5-9(19-4)13-11(12-6)16-20(17,18)10-7(2)14-15-8(10)3/h5H,1-4H3,(H,14,15)(H,12,13,16).
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 104599523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).