N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C11H15F3N4O — CID 106298389

IUPACN-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNCC1(Nc2nccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-1-4-16-9(17-8)18-10(7-15)2-5-19-6-3-10/h1,4H,2-3,5-7,15H2,(H,16,17,18)
InChIKeyVVMWOMOYKLMOEM-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.42
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 106298389) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID106298389
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNCC1(Nc2nccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-1-4-16-9(17-8)18-10(7-15)2-5-19-6-3-10/h1,4H,2-3,5-7,15H2,(H,16,17,18)
InChIKeyVVMWOMOYKLMOEM-UHFFFAOYSA-N
XLogP1.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 106298389) is N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is NCC1(Nc2nccc(C(F)(F)F)n2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VVMWOMOYKLMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-1-4-16-9(17-8)18-10(7-15)2-5-19-6-3-10/h1,4H,2-3,5-7,15H2,(H,16,17,18).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 276.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 106298389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).