4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine

C25H25F3N6O — CID 158919491

IUPAC4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine
SMILESC=C1CN(c2ncccc2C(F)(F)F)CCN1c1cc(-c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H25F3N6O/c1-18-17-33(23-20(25(26,27)28)8-5-9-29-23)10-11-34(18)22-16-21(19-6-3-2-4-7-19)30-24(31-22)32-12-14-35-15-13-32/h2-9,16H,1,10-15,17H2
InChIKeyJHQSMVPQYOKRPZ-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.23
Rot. Bonds4

About 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine

4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine (PubChem CID 158919491) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine
PubChem CID158919491
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine
SMILESC=C1CN(c2ncccc2C(F)(F)F)CCN1c1cc(-c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H25F3N6O/c1-18-17-33(23-20(25(26,27)28)8-5-9-29-23)10-11-34(18)22-16-21(19-6-3-2-4-7-19)30-24(31-22)32-12-14-35-15-13-32/h2-9,16H,1,10-15,17H2
InChIKeyJHQSMVPQYOKRPZ-UHFFFAOYSA-N
XLogP4.23
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine (CID 158919491) is 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine is C=C1CN(c2ncccc2C(F)(F)F)CCN1c1cc(-c2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine?
The InChIKey is JHQSMVPQYOKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-18-17-33(23-20(25(26,27)28)8-5-9-29-23)10-11-34(18)22-16-21(19-6-3-2-4-7-19)30-24(31-22)32-12-14-35-15-13-32/h2-9,16H,1,10-15,17H2.
What are the key properties of 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine?
4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine has a molecular weight of 482.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 158919491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).