4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine

C14H13F4N3S — CID 1483233

IUPAC4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H13F4N3S/c1-8(2)19-13-20-11(14(16,17)18)7-12(21-13)22-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20,21)
InChIKeyXVLOPIYTXQPYOP-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.61
Rot. Bonds4

About 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483233) has the molecular formula C14H13F4N3S and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483233
Molecular FormulaC14H13F4N3S
Molecular Weight331.34 g/mol
Exact Mass331.08
IUPAC Name4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H13F4N3S/c1-8(2)19-13-20-11(14(16,17)18)7-12(21-13)22-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20,21)
InChIKeyXVLOPIYTXQPYOP-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483233) is 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is CC(C)Nc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XVLOPIYTXQPYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3S/c1-8(2)19-13-20-11(14(16,17)18)7-12(21-13)22-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 331.34 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).