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

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

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Related Compounds

1-[6-(3,4-difluorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 142991038
6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 70929943
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 11562398
ethane;4-[4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(3-methylsulfanylphenyl)pyrimidin-2-yl]morpholine
CID 142990974
(1Z,3E)-5-N,5-N-diethyl-3-[2-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]hexa-1,3,5-triene-1,5-diamine
CID 142990735
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
4-(3-fluoro-4-methylphenyl)-2-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-5-carbonitrile
CID 68824315
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-[2-morpholin-4-yl-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507653
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172899349
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833

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).