2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine

C18H16Cl2N4 — CID 112891064

IUPAC2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1nccc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H16Cl2N4/c1-24(12-13-5-3-2-4-6-13)18-21-8-7-17(23-18)22-16-10-14(19)9-15(20)11-16/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyPNPMATFIIIONSC-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.16
Rot. Bonds5

About 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 112891064) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID112891064
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1nccc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H16Cl2N4/c1-24(12-13-5-3-2-4-6-13)18-21-8-7-17(23-18)22-16-10-14(19)9-15(20)11-16/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyPNPMATFIIIONSC-UHFFFAOYSA-N
XLogP5.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
2-N-benzyl-2-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891033
2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883165
2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
CID 112884136
2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305094
4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859491
2-N-benzyl-4-N-[4-(dimethylamino)phenyl]-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900118
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
2-N-benzyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917093
2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109305045
3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949519
2-N-benzyl-4-N-(2-chlorophenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900090

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 112891064) is 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine is CN(Cc1ccccc1)c1nccc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is PNPMATFIIIONSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c1-24(12-13-5-3-2-4-6-13)18-21-8-7-17(23-18)22-16-10-14(19)9-15(20)11-16/h2-11H,12H2,1H3,(H,21,22,23).
What are the key properties of 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 359.26 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112891064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).