N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine

C17H17N5O2S — CID 70695925

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine
SMILESCS(=O)(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C17H17N5O2S/c1-25(23,24)13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20,21,22)
InChIKeyZAODASWQXIXXRK-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.89
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 70695925) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine
PubChem CID70695925
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine
SMILESCS(=O)(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C17H17N5O2S/c1-25(23,24)13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20,21,22)
InChIKeyZAODASWQXIXXRK-UHFFFAOYSA-N
XLogP2.89
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine (CID 70695925) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine is CS(=O)(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is ZAODASWQXIXXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-25(23,24)13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 355.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 70695925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).