N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine

C18H20ClF3N4 — CID 112900912

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C18H20ClF3N4/c1-2-13-5-3-4-10-26(13)16-8-9-23-17(25-16)24-12-6-7-15(19)14(11-12)18(20,21)22/h6-9,11,13H,2-5,10H2,1H3,(H,23,24,25)
InChIKeyTZBALPHNOFNOJI-UHFFFAOYSA-N
MW384.83 g/mol
LogP5.66
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112900912) has the molecular formula C18H20ClF3N4 and a molecular weight of 384.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112900912
Molecular FormulaC18H20ClF3N4
Molecular Weight384.83 g/mol
Exact Mass384.13
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C18H20ClF3N4/c1-2-13-5-3-4-10-26(13)16-8-9-23-17(25-16)24-12-6-7-15(19)14(11-12)18(20,21)22/h6-9,11,13H,2-5,10H2,1H3,(H,23,24,25)
InChIKeyTZBALPHNOFNOJI-UHFFFAOYSA-N
XLogP5.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-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

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900889
N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900838
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910130
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960456
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine
CID 59137406
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864331

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine (CID 112900912) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine is CCC1CCCCN1c1ccnc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is TZBALPHNOFNOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4/c1-2-13-5-3-4-10-26(13)16-8-9-23-17(25-16)24-12-6-7-15(19)14(11-12)18(20,21)22/h6-9,11,13H,2-5,10H2,1H3,(H,23,24,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 384.83 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112900912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).