6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine

C20H21F4N3 — CID 123488425

IUPAC6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESCC=C(F)C=c1c(NCCc2ccc(C(F)(F)F)cc2)nc(C)nc1=CC
InChIInChI=1S/C20H21F4N3/c1-4-16(21)12-17-18(5-2)26-13(3)27-19(17)25-11-10-14-6-8-15(9-7-14)20(22,23)24/h4-9,12H,10-11H2,1-3H3,(H,25,26,27)
InChIKeyAAXPKMUEVMDCLK-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.91
Rot. Bonds5

About 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine

6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 123488425) has the molecular formula C20H21F4N3 and a molecular weight of 379.40 g/mol. Its IUPAC name is 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID123488425
Molecular FormulaC20H21F4N3
Molecular Weight379.40 g/mol
Exact Mass379.17
IUPAC Name6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
SMILESCC=C(F)C=c1c(NCCc2ccc(C(F)(F)F)cc2)nc(C)nc1=CC
InChIInChI=1S/C20H21F4N3/c1-4-16(21)12-17-18(5-2)26-13(3)27-19(17)25-11-10-14-6-8-15(9-7-14)20(22,23)24/h4-9,12H,10-11H2,1-3H3,(H,25,26,27)
InChIKeyAAXPKMUEVMDCLK-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419860
CID 44419876
CID 44419876
7-(4-methylphenyl)-N-(2-methyl-1-phenylpropan-2-yl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419901
2-IMIDAZOLINE, 2-(p-TRIFLUOROMETHYLBENZYL)-
CID 18218
N,N'-diethyl-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride
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2-[4-(Trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 101477526
N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine
CID 23624338
(6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 134952330
(6S)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 134967152
2-[(4-fluorophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 20129131
5-methylsulfanyl-2-[(1E,3Z)-5,5,5-trifluoro-4-(4-methylphenyl)penta-1,3-dienyl]-1,4,5,6-tetrahydropyrimidine
CID 59972497
4-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-1H-pyrido[3,4-b]pyrazine
CID 68855582

Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine (CID 123488425) is 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is CC=C(F)C=c1c(NCCc2ccc(C(F)(F)F)cc2)nc(C)nc1=CC.
What is the InChIKey of 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is AAXPKMUEVMDCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N3/c1-4-16(21)12-17-18(5-2)26-13(3)27-19(17)25-11-10-14-6-8-15(9-7-14)20(22,23)24/h4-9,12H,10-11H2,1-3H3,(H,25,26,27).
What are the key properties of 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine?
6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 379.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-5-(2-fluorobut-2-enylidene)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 123488425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).