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

C18H22F3N5 — CID 112914415

IUPAC2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(Nc3ccccc3C(F)(F)F)n2)CC1
InChIInChI=1S/C18H22F3N5/c1-3-25-8-10-26(11-9-25)17-22-13(2)12-16(24-17)23-15-7-5-4-6-14(15)18(19,20)21/h4-7,12H,3,8-11H2,1-2H3,(H,22,23,24)
InChIKeyCUYXRZBDPQOMOS-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.69
Rot. Bonds4

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

2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 112914415) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID112914415
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(Nc3ccccc3C(F)(F)F)n2)CC1
InChIInChI=1S/C18H22F3N5/c1-3-25-8-10-26(11-9-25)17-22-13(2)12-16(24-17)23-15-7-5-4-6-14(15)18(19,20)21/h4-7,12H,3,8-11H2,1-2H3,(H,22,23,24)
InChIKeyCUYXRZBDPQOMOS-UHFFFAOYSA-N
XLogP3.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112926722
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914107
2-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 112914409
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740
N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914441
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 112914415) is 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCN1CCN(c2nc(C)cc(Nc3ccccc3C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is CUYXRZBDPQOMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c1-3-25-8-10-26(11-9-25)17-22-13(2)12-16(24-17)23-15-7-5-4-6-14(15)18(19,20)21/h4-7,12H,3,8-11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 365.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112914415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).