4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C16H18F3N5 — CID 11267697

IUPAC4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cccc(C(F)(F)F)c3)nc(N)n2)CC1
InChIInChI=1S/C16H18F3N5/c1-23-5-7-24(8-6-23)14-10-13(21-15(20)22-14)11-3-2-4-12(9-11)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H2,20,21,22)
InChIKeyJPMNTGUMTSNTFH-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.50
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 11267697) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID11267697
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC Name4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cccc(C(F)(F)F)c3)nc(N)n2)CC1
InChIInChI=1S/C16H18F3N5/c1-23-5-7-24(8-6-23)14-10-13(21-15(20)22-14)11-3-2-4-12(9-11)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H2,20,21,22)
InChIKeyJPMNTGUMTSNTFH-UHFFFAOYSA-N
XLogP2.50
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879
2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 4288228
4-(4-methyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563797
N-[3-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]phenyl]-4-chlorobenzamide
CID 142998036
4-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 58878071
4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 67302456
4-(2,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 2767478
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74235800

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 11267697) is 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is CN1CCN(c2cc(-c3cccc(C(F)(F)F)c3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is JPMNTGUMTSNTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-23-5-7-24(8-6-23)14-10-13(21-15(20)22-14)11-3-2-4-12(9-11)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H2,20,21,22).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 337.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 11267697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).