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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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).