N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine

C18H22F3N3 — CID 91806562

IUPACN-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine
SMILESCN(C1CCCCC1)C1N=CC(c2ccccc2C(F)(F)F)C=N1
InChIInChI=1S/C18H22F3N3/c1-24(14-7-3-2-4-8-14)17-22-11-13(12-23-17)15-9-5-6-10-16(15)18(19,20)21/h5-6,9-14,17H,2-4,7-8H2,1H3
InChIKeyWESKNJVVDUZTKE-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.49
Rot. Bonds3

About N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine

N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine (PubChem CID 91806562) has the molecular formula C18H22F3N3 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine
PubChem CID91806562
Molecular FormulaC18H22F3N3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC NameN-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine
SMILESCN(C1CCCCC1)C1N=CC(c2ccccc2C(F)(F)F)C=N1
InChIInChI=1S/C18H22F3N3/c1-24(14-7-3-2-4-8-14)17-22-11-13(12-23-17)15-9-5-6-10-16(15)18(19,20)21/h5-6,9-14,17H,2-4,7-8H2,1H3
InChIKeyWESKNJVVDUZTKE-UHFFFAOYSA-N
XLogP4.49
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 15908421
N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-amine
CID 20242550
1-[2-[[2-(Trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine
CID 57091089
2-[4-(3,5-Difluoro-4-methylphenyl)-3-fluorocyclohexa-2,4-dien-1-yl]-5-(4-ethenylcyclohexyl)-2,3,4,5-tetrahydropyridine
CID 68262561
(1S,5S)-N,N-dimethyl-2-(methyliminomethyl)-5-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 134458811
(1S,5S)-N,N-dimethyl-2-(methyliminomethyl)-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine oxide
CID 134458822
N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine
CID 134458832
cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine
CID 134459091
trans-(1S,4S)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine
CID 134459102
(1S,5R)-N,N-dimethyl-2-(methyliminomethyl)-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 134459195
1-[(2R)-3-(2,4-difluorophenyl)-4-(4H-imidazol-4-yl)butan-2-yl]-4-methylidenepiperidine
CID 139309735
(3S)-3-[2-(3,3-difluoropiperidin-1-yl)ethyl]-3,4-dihydroisoquinoline
CID 141439731

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine (CID 91806562) is N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine is CN(C1CCCCC1)C1N=CC(c2ccccc2C(F)(F)F)C=N1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine?
The InChIKey is WESKNJVVDUZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3/c1-24(14-7-3-2-4-8-14)17-22-11-13(12-23-17)15-9-5-6-10-16(15)18(19,20)21/h5-6,9-14,17H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine?
N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine has a molecular weight of 337.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 91806562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).