4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

C19H22F4N6O — CID 155981444

IUPAC4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1
InChIInChI=1S/C19H22F4N6O/c1-13-10-16(27-6-8-30-9-7-27)26-18(25-13)29-4-2-28(3-5-29)17-15(20)11-14(12-24-17)19(21,22)23/h10-12H,2-9H2,1H3
InChIKeyXKTMKBFEFRDEII-UHFFFAOYSA-N
MW426.42 g/mol
LogP2.50
Rot. Bonds3

About 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (PubChem CID 155981444) has the molecular formula C19H22F4N6O and a molecular weight of 426.42 g/mol. Its IUPAC name is 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
PubChem CID155981444
Molecular FormulaC19H22F4N6O
Molecular Weight426.42 g/mol
Exact Mass426.18
IUPAC Name4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1
InChIInChI=1S/C19H22F4N6O/c1-13-10-16(27-6-8-30-9-7-27)26-18(25-13)29-4-2-28(3-5-29)17-15(20)11-14(12-24-17)19(21,22)23/h10-12H,2-9H2,1H3
InChIKeyXKTMKBFEFRDEII-UHFFFAOYSA-N
XLogP2.50
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (CID 155981444) is 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1.
What is the InChIKey of 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is XKTMKBFEFRDEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N6O/c1-13-10-16(27-6-8-30-9-7-27)26-18(25-13)29-4-2-28(3-5-29)17-15(20)11-14(12-24-17)19(21,22)23/h10-12H,2-9H2,1H3.
What are the key properties of 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 426.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 155981444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).