4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

C14H15F3N6 — CID 126853610

IUPAC4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C14H15F3N6/c1-10-2-3-18-13(21-10)23-6-4-22(5-7-23)12-8-11(14(15,16)17)19-9-20-12/h2-3,8-9H,4-7H2,1H3
InChIKeyFVNWQTPUGORTET-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.92
Rot. Bonds2

About 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (PubChem CID 126853610) has the molecular formula C14H15F3N6 and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
PubChem CID126853610
Molecular FormulaC14H15F3N6
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC Name4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C14H15F3N6/c1-10-2-3-18-13(21-10)23-6-4-22(5-7-23)12-8-11(14(15,16)17)19-9-20-12/h2-3,8-9H,4-7H2,1H3
InChIKeyFVNWQTPUGORTET-UHFFFAOYSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154883448
4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 126851346
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 154883096
4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163345548
8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 166605051
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
CID 133304383
4-[6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 146079475
(2-methylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631552

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (CID 126853610) is 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is Cc1ccnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The InChIKey is FVNWQTPUGORTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6/c1-10-2-3-18-13(21-10)23-6-4-22(5-7-23)12-8-11(14(15,16)17)19-9-20-12/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine has a molecular weight of 324.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 126853610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).