3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine

C10H14N6O2S — CID 102825799

IUPAC3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine
SMILESCN(C)c1nn(-c2ncccn2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H14N6O2S/c1-15(2)9-7(19(3,17)18)8(11)16(14-9)10-12-5-4-6-13-10/h4-6H,11H2,1-3H3
InChIKeyMMQPNJMQKMPLOW-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.29
Rot. Bonds3

About 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine

3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine (PubChem CID 102825799) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine
PubChem CID102825799
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine
SMILESCN(C)c1nn(-c2ncccn2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H14N6O2S/c1-15(2)9-7(19(3,17)18)8(11)16(14-9)10-12-5-4-6-13-10/h4-6H,11H2,1-3H3
InChIKeyMMQPNJMQKMPLOW-UHFFFAOYSA-N
XLogP-0.29
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102825783
3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine
CID 102826399
1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826350
2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
CID 102826206
3-N-ethyl-1-(3-fluorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826146
ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate
CID 102826279
methyl 5-amino-3-(diethylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808571
3-N,3-N-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102825851
5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
CID 146673780
4-isocyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-amine
CID 58113646
4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine
CID 102826393
3-methylsulfanyl-4-methylsulfonyl-1-phenylpyrazol-5-amine
CID 134094762

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine?
The IUPAC name of 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine (CID 102825799) is 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine is CN(C)c1nn(-c2ncccn2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine?
The InChIKey is MMQPNJMQKMPLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-15(2)9-7(19(3,17)18)8(11)16(14-9)10-12-5-4-6-13-10/h4-6H,11H2,1-3H3.
What are the key properties of 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine?
3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine has a molecular weight of 282.33 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine is sourced from PubChem (CID 102825799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).