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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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).