2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine

C17H19F3N4 — CID 3253525

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H19F3N4/c1-12-21-15(13-4-3-5-14(10-13)17(18,19)20)11-16(22-12)24-8-6-23(2)7-9-24/h3-5,10-11H,6-9H2,1-2H3
InChIKeyCGQYSCDBTDCDGH-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.22
Rot. Bonds2

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 3253525) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID3253525
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H19F3N4/c1-12-21-15(13-4-3-5-14(10-13)17(18,19)20)11-16(22-12)24-8-6-23(2)7-9-24/h3-5,10-11H,6-9H2,1-2H3
InChIKeyCGQYSCDBTDCDGH-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine (CID 3253525) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine is Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is CGQYSCDBTDCDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4/c1-12-21-15(13-4-3-5-14(10-13)17(18,19)20)11-16(22-12)24-8-6-23(2)7-9-24/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 336.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 3253525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).