5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine

C18H15FN4O2S — CID 90313378

IUPAC5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1
InChIInChI=1S/C18H15FN4O2S/c19-16-8-11(3-6-14(16)12-9-22-18(20)23-10-12)15-2-1-7-21-17(15)26(24,25)13-4-5-13/h1-3,6-10,13H,4-5H2,(H2,20,22,23)
InChIKeyOESBSBSPHYIWDY-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.86
Rot. Bonds4

About 5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine

5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine (PubChem CID 90313378) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
PubChem CID90313378
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1
InChIInChI=1S/C18H15FN4O2S/c19-16-8-11(3-6-14(16)12-9-22-18(20)23-10-12)15-2-1-7-21-17(15)26(24,25)13-4-5-13/h1-3,6-10,13H,4-5H2,(H2,20,22,23)
InChIKeyOESBSBSPHYIWDY-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-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine (CID 90313378) is 5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1.
What is the InChIKey of 5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The InChIKey is OESBSBSPHYIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c19-16-8-11(3-6-14(16)12-9-22-18(20)23-10-12)15-2-1-7-21-17(15)26(24,25)13-4-5-13/h1-3,6-10,13H,4-5H2,(H2,20,22,23).
What are the key properties of 5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
5-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]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-[4-(2-cyclopropylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).