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

C12H16F3N3O — CID 106774650

IUPAC6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O/c1-16-9-6-10(18-11(17-9)12(13,14)15)19-7-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyXJYSVROBRRYBJF-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.11
Rot. Bonds4

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

6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774650) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774650
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O/c1-16-9-6-10(18-11(17-9)12(13,14)15)19-7-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyXJYSVROBRRYBJF-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774650) is 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XJYSVROBRRYBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-16-9-6-10(18-11(17-9)12(13,14)15)19-7-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,16,17,18).
What are the key properties of 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 275.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).