2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine

C11H12F3N7O — CID 164694842

IUPAC2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCn1nnc(C2CN(c3cc(C(F)(F)F)ncn3)CCO2)n1
InChIInChI=1S/C11H12F3N7O/c1-20-18-10(17-19-20)7-5-21(2-3-22-7)9-4-8(11(12,13)14)15-6-16-9/h4,6-7H,2-3,5H2,1H3
InChIKeyUKASHGGLFFLDQG-UHFFFAOYSA-N
MW315.26 g/mol
LogP0.60
Rot. Bonds2

About 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine

2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 164694842) has the molecular formula C11H12F3N7O and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID164694842
Molecular FormulaC11H12F3N7O
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC Name2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCn1nnc(C2CN(c3cc(C(F)(F)F)ncn3)CCO2)n1
InChIInChI=1S/C11H12F3N7O/c1-20-18-10(17-19-20)7-5-21(2-3-22-7)9-4-8(11(12,13)14)15-6-16-9/h4,6-7H,2-3,5H2,1H3
InChIKeyUKASHGGLFFLDQG-UHFFFAOYSA-N
XLogP0.60
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 164694842) is 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine is Cn1nnc(C2CN(c3cc(C(F)(F)F)ncn3)CCO2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is UKASHGGLFFLDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N7O/c1-20-18-10(17-19-20)7-5-21(2-3-22-7)9-4-8(11(12,13)14)15-6-16-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 315.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 164694842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).