6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine

C17H14Cl2N4 — CID 112858865

IUPAC6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
SMILESClc1cccc(Nc2cc(NCc3ccccc3)ncn2)c1Cl
InChIInChI=1S/C17H14Cl2N4/c18-13-7-4-8-14(17(13)19)23-16-9-15(21-11-22-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,20,21,22,23)
InChIKeyCWJNNGSQXVOLNQ-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.14
Rot. Bonds5

About 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine

6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine (PubChem CID 112858865) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
PubChem CID112858865
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
SMILESClc1cccc(Nc2cc(NCc3ccccc3)ncn2)c1Cl
InChIInChI=1S/C17H14Cl2N4/c18-13-7-4-8-14(17(13)19)23-16-9-15(21-11-22-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,20,21,22,23)
InChIKeyCWJNNGSQXVOLNQ-UHFFFAOYSA-N
XLogP5.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-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

4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112858799
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
6-N-benzyl-4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858867
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
CID 115416269
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347996
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine (CID 112858865) is 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine is Clc1cccc(Nc2cc(NCc3ccccc3)ncn2)c1Cl.
What is the InChIKey of 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is CWJNNGSQXVOLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c18-13-7-4-8-14(17(13)19)23-16-9-15(21-11-22-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,20,21,22,23).
What are the key properties of 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine?
6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine has a molecular weight of 345.23 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).