4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine

C16H17F3N4 — CID 3234023

IUPAC4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCN1CCN(c2cc(-c3ccccc3C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H17F3N4/c1-22-6-8-23(9-7-22)15-10-14(20-11-21-15)12-4-2-3-5-13(12)16(17,18)19/h2-5,10-11H,6-9H2,1H3
InChIKeyYIEQOCFAYKVWIZ-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.91
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine

4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 3234023) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID3234023
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCN1CCN(c2cc(-c3ccccc3C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H17F3N4/c1-22-6-8-23(9-7-22)15-10-14(20-11-21-15)12-4-2-3-5-13(12)16(17,18)19/h2-5,10-11H,6-9H2,1H3
InChIKeyYIEQOCFAYKVWIZ-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine (CID 3234023) is 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine is CN1CCN(c2cc(-c3ccccc3C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is YIEQOCFAYKVWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c1-22-6-8-23(9-7-22)15-10-14(20-11-21-15)12-4-2-3-5-13(12)16(17,18)19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine?
4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 322.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 3234023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).