2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine

C12H17F3N4 — CID 86801063

IUPAC2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CNC2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)8-3-1-2-4-9(8)18-7-11-17-6-5-10(16)19-11/h5-6,8-9,18H,1-4,7H2,(H2,16,17,19)
InChIKeyVIRAPCYAEARCGQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.27
Rot. Bonds3

About 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine

2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine (PubChem CID 86801063) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine
PubChem CID86801063
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CNC2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)8-3-1-2-4-9(8)18-7-11-17-6-5-10(16)19-11/h5-6,8-9,18H,1-4,7H2,(H2,16,17,19)
InChIKeyVIRAPCYAEARCGQ-UHFFFAOYSA-N
XLogP2.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine (CID 86801063) is 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine is Nc1ccnc(CNC2CCCCC2C(F)(F)F)n1.
What is the InChIKey of 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine?
The InChIKey is VIRAPCYAEARCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)8-3-1-2-4-9(8)18-7-11-17-6-5-10(16)19-11/h5-6,8-9,18H,1-4,7H2,(H2,16,17,19).
What are the key properties of 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine?
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 86801063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).