2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine

C9H11N5O2S — CID 167426029

IUPAC2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCS(=O)(=O)Cn1cc(-c2nccc(N)n2)cn1
InChIInChI=1S/C9H11N5O2S/c1-17(15,16)6-14-5-7(4-12-14)9-11-3-2-8(10)13-9/h2-5H,6H2,1H3,(H2,10,11,13)
InChIKeyLZQSJCVBFLQGQR-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.08
Rot. Bonds3

About 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine

2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 167426029) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID167426029
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCS(=O)(=O)Cn1cc(-c2nccc(N)n2)cn1
InChIInChI=1S/C9H11N5O2S/c1-17(15,16)6-14-5-7(4-12-14)9-11-3-2-8(10)13-9/h2-5H,6H2,1H3,(H2,10,11,13)
InChIKeyLZQSJCVBFLQGQR-UHFFFAOYSA-N
XLogP-0.08
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-aminopyrimidin-2-yl)-N,N-dimethylpyrazole-1-sulfonamide
CID 167425693
2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine
CID 167425927
2-(1-ethylpyrazol-4-yl)-N-methylpyrimidin-4-amine
CID 103570484
4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine
CID 95732733
1-methyl-5-[1-(methylsulfonylmethyl)pyrazol-4-yl]-4-phenylpyridin-2-one
CID 135355336
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
2-(1-ethylimidazol-4-yl)pyrimidin-4-amine
CID 130509154
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
CID 103570563
5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573052
[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 62250563
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide
CID 122244856

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine (CID 167426029) is 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine is CS(=O)(=O)Cn1cc(-c2nccc(N)n2)cn1.
What is the InChIKey of 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is LZQSJCVBFLQGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-17(15,16)6-14-5-7(4-12-14)9-11-3-2-8(10)13-9/h2-5H,6H2,1H3,(H2,10,11,13).
What are the key properties of 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine?
2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 253.29 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfonylmethyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 167426029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).