[5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol

C16H17F3N4O2 — CID 75427790

IUPAC[5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C16H17F3N4O2/c1-10-9-25-12(8-24)7-23(10)14-5-13(16(17,18)19)21-15(22-14)11-3-2-4-20-6-11/h2-6,10,12,24H,7-9H2,1H3
InChIKeyZSZOGTCVAAPLBZ-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.14
Rot. Bonds3

About [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol

[5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 75427790) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID75427790
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name[5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C16H17F3N4O2/c1-10-9-25-12(8-24)7-23(10)14-5-13(16(17,18)19)21-15(22-14)11-3-2-4-20-6-11/h2-6,10,12,24H,7-9H2,1H3
InChIKeyZSZOGTCVAAPLBZ-UHFFFAOYSA-N
XLogP2.14
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol (CID 75427790) is [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol is CC1COC(CO)CN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1.
What is the InChIKey of [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is ZSZOGTCVAAPLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-10-9-25-12(8-24)7-23(10)14-5-13(16(17,18)19)21-15(22-14)11-3-2-4-20-6-11/h2-6,10,12,24H,7-9H2,1H3.
What are the key properties of [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol?
[5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 354.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 75427790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).