4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine

C17H11Cl2F3N4O — CID 141033852

IUPAC4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESFC(F)(F)Oc1cc(Cl)c(Nc2ccnc(Nc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C17H11Cl2F3N4O/c18-12-8-11(27-17(20,21)22)9-13(19)15(12)25-14-6-7-23-16(26-14)24-10-4-2-1-3-5-10/h1-9H,(H2,23,24,25,26)
InChIKeyBZAJCGUIKLBUDO-UHFFFAOYSA-N
MW415.20 g/mol
LogP6.17
Rot. Bonds5

About 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine

4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 141033852) has the molecular formula C17H11Cl2F3N4O and a molecular weight of 415.20 g/mol. Its IUPAC name is 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine
PubChem CID141033852
Molecular FormulaC17H11Cl2F3N4O
Molecular Weight415.20 g/mol
Exact Mass414.03
IUPAC Name4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESFC(F)(F)Oc1cc(Cl)c(Nc2ccnc(Nc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C17H11Cl2F3N4O/c18-12-8-11(27-17(20,21)22)9-13(19)15(12)25-14-6-7-23-16(26-14)24-10-4-2-1-3-5-10/h1-9H,(H2,23,24,25,26)
InChIKeyBZAJCGUIKLBUDO-UHFFFAOYSA-N
XLogP6.17
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.20
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine 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

2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112903842
2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80769352
4-[[4-[2-(trifluoromethoxy)anilino]pyrimidin-2-yl]amino]benzoic acid
CID 56587968
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904656
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
2-N-(3-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903722
2-N-(4-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903814
4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
CID 117083720
2-N-(2,6-dichlorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905213
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112904127

Frequently Asked Questions

What is the IUPAC name of 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine (CID 141033852) is 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine is FC(F)(F)Oc1cc(Cl)c(Nc2ccnc(Nc3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is BZAJCGUIKLBUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N4O/c18-12-8-11(27-17(20,21)22)9-13(19)15(12)25-14-6-7-23-16(26-14)24-10-4-2-1-3-5-10/h1-9H,(H2,23,24,25,26).
What are the key properties of 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine?
4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 415.20 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 141033852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).