1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine

C12H16F3N3O — CID 64585876

IUPAC1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine
SMILESNC1(COc2nccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-4-7-17-10(18-9)19-8-11(16)5-2-1-3-6-11/h4,7H,1-3,5-6,8,16H2
InChIKeyBLJKQTKNIUAJCG-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.54
Rot. Bonds3

About 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine

1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine (PubChem CID 64585876) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine
PubChem CID64585876
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine
SMILESNC1(COc2nccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-4-7-17-10(18-9)19-8-11(16)5-2-1-3-6-11/h4,7H,1-3,5-6,8,16H2
InChIKeyBLJKQTKNIUAJCG-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine (CID 64585876) is 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine is NC1(COc2nccc(C(F)(F)F)n2)CCCCC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine?
The InChIKey is BLJKQTKNIUAJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)9-4-7-17-10(18-9)19-8-11(16)5-2-1-3-6-11/h4,7H,1-3,5-6,8,16H2.
What are the key properties of 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine?
1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine has a molecular weight of 275.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 64585876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).