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

C17H16FN5O2S — CID 50943144

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C17H16FN5O2S/c1-26(24,25)12-6-4-11(5-7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-2-3-10/h4-10H,2-3H2,1H3,(H2,19,20,21,22,23)
InChIKeyIPLUFMWFQFYBAM-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.03
Rot. Bonds5

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 50943144) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
PubChem CID50943144
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C17H16FN5O2S/c1-26(24,25)12-6-4-11(5-7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-2-3-10/h4-10H,2-3H2,1H3,(H2,19,20,21,22,23)
InChIKeyIPLUFMWFQFYBAM-UHFFFAOYSA-N
XLogP3.03
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.03
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)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine (CID 50943144) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine is CS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is IPLUFMWFQFYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-26(24,25)12-6-4-11(5-7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-2-3-10/h4-10H,2-3H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 373.41 g/mol, XLogP of 3.03, 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)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 50943144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).