4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C13H16F3N3O — CID 44821619

IUPAC4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(C2CC2)nc(NCC2CCCO2)n1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-6-10(8-3-4-8)18-12(19-11)17-7-9-2-1-5-20-9/h6,8-9H,1-5,7H2,(H,17,18,19)
InChIKeyJXCRGRQXXIMTLD-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.96
Rot. Bonds4

About 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821619) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821619
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(C2CC2)nc(NCC2CCCO2)n1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-6-10(8-3-4-8)18-12(19-11)17-7-9-2-1-5-20-9/h6,8-9H,1-5,7H2,(H,17,18,19)
InChIKeyJXCRGRQXXIMTLD-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821619) is 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(C2CC2)nc(NCC2CCCO2)n1.
What is the InChIKey of 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JXCRGRQXXIMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)11-6-10(8-3-4-8)18-12(19-11)17-7-9-2-1-5-20-9/h6,8-9H,1-5,7H2,(H,17,18,19).
What are the key properties of 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).