4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine

C12H13F6N3 — CID 75414193

IUPAC4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H13F6N3/c13-11(14,15)7-2-1-3-8(6-7)20-10-19-5-4-9(21-10)12(16,17)18/h4-5,7-8H,1-3,6H2,(H,19,20,21)
InChIKeyRETXJQZFRSZBLX-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.03
Rot. Bonds2

About 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine

4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine (PubChem CID 75414193) has the molecular formula C12H13F6N3 and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
PubChem CID75414193
Molecular FormulaC12H13F6N3
Molecular Weight313.25 g/mol
Exact Mass313.10
IUPAC Name4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H13F6N3/c13-11(14,15)7-2-1-3-8(6-7)20-10-19-5-4-9(21-10)12(16,17)18/h4-5,7-8H,1-3,6H2,(H,19,20,21)
InChIKeyRETXJQZFRSZBLX-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine (CID 75414193) is 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine is FC(F)(F)c1ccnc(NC2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine?
The InChIKey is RETXJQZFRSZBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N3/c13-11(14,15)7-2-1-3-8(6-7)20-10-19-5-4-9(21-10)12(16,17)18/h4-5,7-8H,1-3,6H2,(H,19,20,21).
What are the key properties of 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine?
4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine has a molecular weight of 313.25 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 75414193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).