5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine

C19H16FN3O2S — CID 90313284

IUPAC5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1
InChIInChI=1S/C19H16FN3O2S/c20-17-9-12(5-8-15(17)13-10-22-19(21)23-11-13)16-3-1-2-4-18(16)26(24,25)14-6-7-14/h1-5,8-11,14H,6-7H2,(H2,21,22,23)
InChIKeyVPPXTVHGJUYTCD-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.47
Rot. Bonds4

About 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine

5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine (PubChem CID 90313284) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine
PubChem CID90313284
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1
InChIInChI=1S/C19H16FN3O2S/c20-17-9-12(5-8-15(17)13-10-22-19(21)23-11-13)16-3-1-2-4-18(16)26(24,25)14-6-7-14/h1-5,8-11,14H,6-7H2,(H2,21,22,23)
InChIKeyVPPXTVHGJUYTCD-UHFFFAOYSA-N
XLogP3.47
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine (CID 90313284) is 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1.
What is the InChIKey of 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine?
The InChIKey is VPPXTVHGJUYTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c20-17-9-12(5-8-15(17)13-10-22-19(21)23-11-13)16-3-1-2-4-18(16)26(24,25)14-6-7-14/h1-5,8-11,14H,6-7H2,(H2,21,22,23).
What are the key properties of 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine?
5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine has a molecular weight of 369.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).