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

C10H11ClF3N3O — CID 82460863

IUPAC2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCC2CCCO2)nc(Cl)n1
InChIInChI=1S/C10H11ClF3N3O/c11-9-16-7(10(12,13)14)4-8(17-9)15-5-6-2-1-3-18-6/h4,6H,1-3,5H2,(H,15,16,17)
InChIKeyIAHHBWCLXHFXMY-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.74
Rot. Bonds3

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

2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 82460863) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID82460863
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCC2CCCO2)nc(Cl)n1
InChIInChI=1S/C10H11ClF3N3O/c11-9-16-7(10(12,13)14)4-8(17-9)15-5-6-2-1-3-18-6/h4,6H,1-3,5H2,(H,15,16,17)
InChIKeyIAHHBWCLXHFXMY-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 82460863) is 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCC2CCCO2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IAHHBWCLXHFXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c11-9-16-7(10(12,13)14)4-8(17-9)15-5-6-2-1-3-18-6/h4,6H,1-3,5H2,(H,15,16,17).
What are the key properties of 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 281.67 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 82460863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).