4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine

C9H12N6O2S — CID 121134990

IUPAC4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
SMILESCN(C)S(=O)(=O)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C9H12N6O2S/c1-14(2)18(16,17)13-8-6-9(11-7-10-8)15-5-3-4-12-15/h3-7H,1-2H3,(H,10,11,13)
InChIKeyYBGYYIGCQHZHPQ-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.12
Rot. Bonds4

About 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine

4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine (PubChem CID 121134990) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
PubChem CID121134990
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
SMILESCN(C)S(=O)(=O)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C9H12N6O2S/c1-14(2)18(16,17)13-8-6-9(11-7-10-8)15-5-3-4-12-15/h3-7H,1-2H3,(H,10,11,13)
InChIKeyYBGYYIGCQHZHPQ-UHFFFAOYSA-N
XLogP-0.12
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135011
N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
CID 121135032
3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135064
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065
N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide
CID 121135030
N-(6-pyrazol-1-ylpyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135031
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290773
1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
5-bromo-2-ethoxy-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072952
N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 163343857
1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide
CID 121135495

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine (CID 121134990) is 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine is CN(C)S(=O)(=O)Nc1cc(-n2cccn2)ncn1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine?
The InChIKey is YBGYYIGCQHZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-14(2)18(16,17)13-8-6-9(11-7-10-8)15-5-3-4-12-15/h3-7H,1-2H3,(H,10,11,13).
What are the key properties of 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine?
4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine has a molecular weight of 268.30 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 121134990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).