2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C17H20F3N5 — CID 112870777

IUPAC2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2C(F)(F)F)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H20F3N5/c1-12-21-15(11-16(22-12)25-9-7-24(2)8-10-25)23-14-6-4-3-5-13(14)17(18,19)20/h3-6,11H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyBAYSVXOPQSXWSH-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.30
Rot. Bonds3

About 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 112870777) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID112870777
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2C(F)(F)F)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H20F3N5/c1-12-21-15(11-16(22-12)25-9-7-24(2)8-10-25)23-14-6-4-3-5-13(14)17(18,19)20/h3-6,11H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyBAYSVXOPQSXWSH-UHFFFAOYSA-N
XLogP3.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109367119
6-(2-ethylpiperidin-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112876497
N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870794
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122337919
2-(azepan-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112926722
2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112874738
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677
4-[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112871069
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914415
N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112875375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 112870777) is 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1nc(Nc2ccccc2C(F)(F)F)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is BAYSVXOPQSXWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-12-21-15(11-16(22-12)25-9-7-24(2)8-10-25)23-14-6-4-3-5-13(14)17(18,19)20/h3-6,11H,7-10H2,1-2H3,(H,21,22,23).
What are the key properties of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 351.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112870777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).