4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

C31H22Cl2FN9 — CID 11714205

IUPAC4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(-c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccc(F)cc4)n3)cc2)cc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C31H22Cl2FN9/c32-19-8-15-24(25(33)16-19)27-17-26(39-28(35)40-27)18-6-11-22(12-7-18)37-30-41-29(36-21-4-2-1-3-5-21)42-31(43-30)38-23-13-9-20(34)10-14-23/h1-17H,(H2,35,39,40)(H3,36,37,38,41,42,43)
InChIKeyLWCXAHPOWYBMKW-UHFFFAOYSA-N
MW610.48 g/mol
LogP8.25
Rot. Bonds8

About 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 11714205) has the molecular formula C31H22Cl2FN9 and a molecular weight of 610.48 g/mol. Its IUPAC name is 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID11714205
Molecular FormulaC31H22Cl2FN9
Molecular Weight610.48 g/mol
Exact Mass609.14
IUPAC Name4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(-c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccc(F)cc4)n3)cc2)cc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C31H22Cl2FN9/c32-19-8-15-24(25(33)16-19)27-17-26(39-28(35)40-27)18-6-11-22(12-7-18)37-30-41-29(36-21-4-2-1-3-5-21)42-31(43-30)38-23-13-9-20(34)10-14-23/h1-17H,(H2,35,39,40)(H3,36,37,38,41,42,43)
InChIKeyLWCXAHPOWYBMKW-UHFFFAOYSA-N
XLogP8.25
TPSA126.56 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.48
LogP ≤ 58.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-[4-(2-amino-6-thiophen-2-ylpyrimidin-4-yl)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 45113252
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine
CID 86045434
3-N-[3-chloro-4-(3,4-difluorophenyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632479
6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 89433035
2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659437
3-N-[3-chloro-4-(2-fluorophenyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632476
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 71493670
N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 1419469

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 11714205) is 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is Nc1nc(-c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccc(F)cc4)n3)cc2)cc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LWCXAHPOWYBMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Cl2FN9/c32-19-8-15-24(25(33)16-19)27-17-26(39-28(35)40-27)18-6-11-22(12-7-18)37-30-41-29(36-21-4-2-1-3-5-21)42-31(43-30)38-23-13-9-20(34)10-14-23/h1-17H,(H2,35,39,40)(H3,36,37,38,41,42,43).
What are the key properties of 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 610.48 g/mol, XLogP of 8.25, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11714205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).