[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol

C12H16F3N3O2 — CID 106747937

IUPAC[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H16F3N3O2/c1-7-6-20-8(5-19)4-18(7)10-2-11(12(13,14)15)17-3-9(10)16/h2-3,7-8,19H,4-6,16H2,1H3
InChIKeyDNMZHDKMQPKFBE-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.27
Rot. Bonds2

About [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol

[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 106747937) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol
PubChem CID106747937
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H16F3N3O2/c1-7-6-20-8(5-19)4-18(7)10-2-11(12(13,14)15)17-3-9(10)16/h2-3,7-8,19H,4-6,16H2,1H3
InChIKeyDNMZHDKMQPKFBE-UHFFFAOYSA-N
XLogP1.27
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol (CID 106747937) is [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is DNMZHDKMQPKFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7-6-20-8(5-19)4-18(7)10-2-11(12(13,14)15)17-3-9(10)16/h2-3,7-8,19H,4-6,16H2,1H3.
What are the key properties of [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol?
[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 291.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 106747937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).