5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine

C19H16F4N4O2S — CID 90329842

IUPAC5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)c1nc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C19H16F4N4O2S/c1-10(2)30(28,29)17-14(5-6-16(27-17)19(21,22)23)11-3-4-13(15(20)7-11)12-8-25-18(24)26-9-12/h3-10H,1-2H3,(H2,24,25,26)
InChIKeyUCIWPSQOCHQUEW-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.13
Rot. Bonds4

About 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine

5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine (PubChem CID 90329842) has the molecular formula C19H16F4N4O2S and a molecular weight of 440.42 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
PubChem CID90329842
Molecular FormulaC19H16F4N4O2S
Molecular Weight440.42 g/mol
Exact Mass440.09
IUPAC Name5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)c1nc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C19H16F4N4O2S/c1-10(2)30(28,29)17-14(5-6-16(27-17)19(21,22)23)11-3-4-13(15(20)7-11)12-8-25-18(24)26-9-12/h3-10H,1-2H3,(H2,24,25,26)
InChIKeyUCIWPSQOCHQUEW-UHFFFAOYSA-N
XLogP4.13
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine (CID 90329842) is 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine is CC(C)S(=O)(=O)c1nc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The InChIKey is UCIWPSQOCHQUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2S/c1-10(2)30(28,29)17-14(5-6-16(27-17)19(21,22)23)11-3-4-13(15(20)7-11)12-8-25-18(24)26-9-12/h3-10H,1-2H3,(H2,24,25,26).
What are the key properties of 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine has a molecular weight of 440.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-propan-2-ylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90329842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).