bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)

C72H72N16 — CID 158640919

IUPACbis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
SMILESCc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/4C18H18N4/c2*1-13-6-8-15(9-7-13)20-17-10-11-19-18(22-17)21-16-5-3-4-14(2)12-16;2*1-13-7-9-15(10-8-13)20-17-11-12-19-18(22-17)21-16-6-4-3-5-14(16)2/h4*3-12H,1-2H3,(H2,19,20,21,22)
InChIKeyIAJHXEHPJPXZQH-UHFFFAOYSA-N
MW1161.48 g/mol
LogP18.32
Rot. Bonds16

About bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)

bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) (PubChem CID 158640919) has the molecular formula C72H72N16 and a molecular weight of 1161.48 g/mol. Its IUPAC name is bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine).

Molecular Properties

Compound Namebis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
PubChem CID158640919
Molecular FormulaC72H72N16
Molecular Weight1161.48 g/mol
Exact Mass1160.61
IUPAC Namebis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
SMILESCc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/4C18H18N4/c2*1-13-6-8-15(9-7-13)20-17-10-11-19-18(22-17)21-16-5-3-4-14(2)12-16;2*1-13-7-9-15(10-8-13)20-17-11-12-19-18(22-17)21-16-6-4-3-5-14(16)2/h4*3-12H,1-2H3,(H2,19,20,21,22)
InChIKeyIAJHXEHPJPXZQH-UHFFFAOYSA-N
XLogP18.32
TPSA199.36 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001161.48
LogP ≤ 518.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) with MolForge

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Related Compounds

2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
4-N-(3,4-dichlorophenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901934
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
2-N-(2-methylphenyl)-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901856
2-N-(3-methylphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901921
2-N,4-N-bis(3-chlorophenyl)-6-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 162030855

Frequently Asked Questions

What is the IUPAC name of bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The IUPAC name of bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) (CID 158640919) is bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine).
What is the SMILES notation for bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The canonical SMILES for bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) is Cc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1.
What is the InChIKey of bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The InChIKey is IAJHXEHPJPXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H18N4/c2*1-13-6-8-15(9-7-13)20-17-10-11-19-18(22-17)21-16-5-3-4-14(2)12-16;2*1-13-7-9-15(10-8-13)20-17-11-12-19-18(22-17)21-16-6-4-3-5-14(16)2/h4*3-12H,1-2H3,(H2,19,20,21,22).
What are the key properties of bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) has a molecular weight of 1161.48 g/mol, XLogP of 18.32, 16 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) is sourced from PubChem (CID 158640919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).