[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C21H24F3N5O2 — CID 27477577

IUPAC[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C21H24F3N5O2/c1-15-14-18(27-10-12-31-13-11-27)26-20(25-15)29-8-6-28(7-9-29)19(30)16-2-4-17(5-3-16)21(22,23)24/h2-5,14H,6-13H2,1H3
InChIKeyMGGFBPGIAUOQEM-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.60
Rot. Bonds3

About [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 27477577) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID27477577
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C21H24F3N5O2/c1-15-14-18(27-10-12-31-13-11-27)26-20(25-15)29-8-6-28(7-9-29)19(30)16-2-4-17(5-3-16)21(22,23)24/h2-5,14H,6-13H2,1H3
InChIKeyMGGFBPGIAUOQEM-UHFFFAOYSA-N
XLogP2.60
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 27477577) is [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is MGGFBPGIAUOQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-15-14-18(27-10-12-31-13-11-27)26-20(25-15)29-8-6-28(7-9-29)19(30)16-2-4-17(5-3-16)21(22,23)24/h2-5,14H,6-13H2,1H3.
What are the key properties of [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 435.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 27477577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).