[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine

C11H14F3N3O — CID 86716336

IUPAC[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine
SMILESNCC1(c2cnc(C(F)(F)F)nc2)CCOCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-16-5-8(6-17-9)10(7-15)1-3-18-4-2-10/h5-6H,1-4,7,15H2
InChIKeyZQEQNZBKNTXAHE-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.50
Rot. Bonds2

About [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine

[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine (PubChem CID 86716336) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine
PubChem CID86716336
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine
SMILESNCC1(c2cnc(C(F)(F)F)nc2)CCOCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-16-5-8(6-17-9)10(7-15)1-3-18-4-2-10/h5-6H,1-4,7,15H2
InChIKeyZQEQNZBKNTXAHE-UHFFFAOYSA-N
XLogP1.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine (CID 86716336) is [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine is NCC1(c2cnc(C(F)(F)F)nc2)CCOCC1.
What is the InChIKey of [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine?
The InChIKey is ZQEQNZBKNTXAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-16-5-8(6-17-9)10(7-15)1-3-18-4-2-10/h5-6H,1-4,7,15H2.
What are the key properties of [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine?
[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine has a molecular weight of 261.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethyl)pyrimidin-5-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 86716336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).