N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine

C27H32F3N5 — CID 142126660

IUPACN-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine
SMILESC=C(NC1=NC(c2ccccc2C(F)(F)F)NC(C2CNCCN2)=C1)c1ccccc1CCCC
InChIInChI=1S/C27H32F3N5/c1-3-4-9-19-10-5-6-11-20(19)18(2)33-25-16-23(24-17-31-14-15-32-24)34-26(35-25)21-12-7-8-13-22(21)27(28,29)30/h5-8,10-13,16,24,26,31-32,34H,2-4,9,14-15,17H2,1H3,(H,33,35)
InChIKeyIAUKZLBEDWHABX-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.75
Rot. Bonds7

About N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine

N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine (PubChem CID 142126660) has the molecular formula C27H32F3N5 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine
PubChem CID142126660
Molecular FormulaC27H32F3N5
Molecular Weight483.58 g/mol
Exact Mass483.26
IUPAC NameN-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine
SMILESC=C(NC1=NC(c2ccccc2C(F)(F)F)NC(C2CNCCN2)=C1)c1ccccc1CCCC
InChIInChI=1S/C27H32F3N5/c1-3-4-9-19-10-5-6-11-20(19)18(2)33-25-16-23(24-17-31-14-15-32-24)34-26(35-25)21-12-7-8-13-22(21)27(28,29)30/h5-8,10-13,16,24,26,31-32,34H,2-4,9,14-15,17H2,1H3,(H,33,35)
InChIKeyIAUKZLBEDWHABX-UHFFFAOYSA-N
XLogP4.75
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-4-amine;pentane
CID 142126193
6-methyl-N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyridin-4-amine;pentane
CID 142125677
N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinazolin-4-amine;pentane
CID 142127632
N-[(3Z)-penta-1,3-dien-2-yl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine;pentan-1-amine
CID 142127831
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
3-methyl-6-(1-methylpiperazin-2-yl)-N-[1-[2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidin-4-amine
CID 142126970
6-cyclohexyl-N-[1-(4-fluoro-2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyridin-4-amine;hexane
CID 142127883
N-[1-(2-butyl-5-fluorophenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
CID 142126833
N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 63102198
N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine
CID 142125686
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine?
The IUPAC name of N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine (CID 142126660) is N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine?
The canonical SMILES for N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine is C=C(NC1=NC(c2ccccc2C(F)(F)F)NC(C2CNCCN2)=C1)c1ccccc1CCCC.
What is the InChIKey of N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine?
The InChIKey is IAUKZLBEDWHABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5/c1-3-4-9-19-10-5-6-11-20(19)18(2)33-25-16-23(24-17-31-14-15-32-24)34-26(35-25)21-12-7-8-13-22(21)27(28,29)30/h5-8,10-13,16,24,26,31-32,34H,2-4,9,14-15,17H2,1H3,(H,33,35).
What are the key properties of N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine?
N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine has a molecular weight of 483.58 g/mol, XLogP of 4.75, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butylphenyl)ethenyl]-6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-4-amine is sourced from PubChem (CID 142126660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).