6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C11H14F3N3O2 — CID 106774501

IUPAC6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCC2CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)10-16-8(15)5-9(17-10)19-6-7-1-3-18-4-2-7/h5,7H,1-4,6H2,(H2,15,16,17)
InChIKeyBRLAYEWULWKNTQ-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.88
Rot. Bonds3

About 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774501) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774501
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCC2CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)10-16-8(15)5-9(17-10)19-6-7-1-3-18-4-2-7/h5,7H,1-4,6H2,(H2,15,16,17)
InChIKeyBRLAYEWULWKNTQ-UHFFFAOYSA-N
XLogP1.88
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773775
2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
CID 114562086
2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
CID 80962786
6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 80651934
6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 140649990
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987
6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774322
6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774343
4-fluoro-6-(oxan-4-ylmethoxy)pyrimidine
CID 115416180
[2-(trifluoromethyl)-4-pyridinyl] 2-chloro-6-(oxan-4-ylmethoxy)pyrimidine-4-carboxylate
CID 170418738
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567813
6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772042

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774501) is 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(OCC2CCOCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BRLAYEWULWKNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)10-16-8(15)5-9(17-10)19-6-7-1-3-18-4-2-7/h5,7H,1-4,6H2,(H2,15,16,17).
What are the key properties of 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).