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

C16H16F3N3O — CID 2985365

IUPACN-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(NCC2CCCO2)n1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)14-9-13(11-5-2-1-3-6-11)21-15(22-14)20-10-12-7-4-8-23-12/h1-3,5-6,9,12H,4,7-8,10H2,(H,20,21,22)
InChIKeyBIXFAKJKVRUCNU-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.75
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2985365) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2985365
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(NCC2CCCO2)n1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)14-9-13(11-5-2-1-3-6-11)21-15(22-14)20-10-12-7-4-8-23-12/h1-3,5-6,9,12H,4,7-8,10H2,(H,20,21,22)
InChIKeyBIXFAKJKVRUCNU-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 2985365) is N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccccc2)nc(NCC2CCCO2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BIXFAKJKVRUCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)14-9-13(11-5-2-1-3-6-11)21-15(22-14)20-10-12-7-4-8-23-12/h1-3,5-6,9,12H,4,7-8,10H2,(H,20,21,22).
What are the key properties of N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 323.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2985365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).