6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H18F3N3O — CID 106774652

IUPAC6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-2-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,17,18,19)
InChIKeyITAXKSJJFKZYGS-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.50
Rot. Bonds5

About 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774652) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774652
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-2-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,17,18,19)
InChIKeyITAXKSJJFKZYGS-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774652) is 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ITAXKSJJFKZYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,17,18,19).
What are the key properties of 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).