5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine

C18H15FN4O2S — CID 90329782

IUPAC5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ncc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1
InChIInChI=1S/C18H15FN4O2S/c19-15-7-11(8-21-17(15)12-9-22-18(20)23-10-12)14-3-1-2-4-16(14)26(24,25)13-5-6-13/h1-4,7-10,13H,5-6H2,(H2,20,22,23)
InChIKeyCYSHXPGGTCYRSK-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.86
Rot. Bonds4

About 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine

5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine (PubChem CID 90329782) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine
PubChem CID90329782
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ncc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1
InChIInChI=1S/C18H15FN4O2S/c19-15-7-11(8-21-17(15)12-9-22-18(20)23-10-12)14-3-1-2-4-16(14)26(24,25)13-5-6-13/h1-4,7-10,13H,5-6H2,(H2,20,22,23)
InChIKeyCYSHXPGGTCYRSK-UHFFFAOYSA-N
XLogP2.86
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine (CID 90329782) is 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ncc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1.
What is the InChIKey of 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is CYSHXPGGTCYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c19-15-7-11(8-21-17(15)12-9-22-18(20)23-10-12)14-3-1-2-4-16(14)26(24,25)13-5-6-13/h1-4,7-10,13H,5-6H2,(H2,20,22,23).
What are the key properties of 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine?
5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 370.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 90329782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).