5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine

C15H14FN5O2S — CID 171343907

IUPAC5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCn1cc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)ncc2F)cn1
InChIInChI=1S/C15H14FN5O2S/c1-21-9-10(7-18-21)14-13(16)8-17-15(20-14)19-11-3-5-12(6-4-11)24(2,22)23/h3-9H,1-2H3,(H,17,19,20)
InChIKeyUUFIEDRPFIIXAY-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.16
Rot. Bonds4

About 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine

5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 171343907) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine
PubChem CID171343907
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCn1cc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)ncc2F)cn1
InChIInChI=1S/C15H14FN5O2S/c1-21-9-10(7-18-21)14-13(16)8-17-15(20-14)19-11-3-5-12(6-4-11)24(2,22)23/h3-9H,1-2H3,(H,17,19,20)
InChIKeyUUFIEDRPFIIXAY-UHFFFAOYSA-N
XLogP2.16
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine (CID 171343907) is 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine is Cn1cc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)ncc2F)cn1.
What is the InChIKey of 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is UUFIEDRPFIIXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-21-9-10(7-18-21)14-13(16)8-17-15(20-14)19-11-3-5-12(6-4-11)24(2,22)23/h3-9H,1-2H3,(H,17,19,20).
What are the key properties of 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine?
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 347.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 171343907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).