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

C19H18Cl2N4 — CID 112917025

IUPAC4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H18Cl2N4/c1-13-10-18(25(2)12-14-6-4-3-5-7-14)24-19(22-13)23-15-8-9-16(20)17(21)11-15/h3-11H,12H2,1-2H3,(H,22,23,24)
InChIKeyGGTNALHIWVPJOA-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.47
Rot. Bonds5

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

4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112917025) has the molecular formula C19H18Cl2N4 and a molecular weight of 373.29 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112917025
Molecular FormulaC19H18Cl2N4
Molecular Weight373.29 g/mol
Exact Mass372.09
IUPAC Name4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H18Cl2N4/c1-13-10-18(25(2)12-14-6-4-3-5-7-14)24-19(22-13)23-15-8-9-16(20)17(21)11-15/h3-11H,12H2,1-2H3,(H,22,23,24)
InChIKeyGGTNALHIWVPJOA-UHFFFAOYSA-N
XLogP5.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916973
4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916961
4-N-benzyl-2-N-(3-chloro-4-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918933
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
4-N-benzyl-2-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918934
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925053
4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112917039
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916963
4-N-benzyl-6-N-(3-chloro-4-fluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872245

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 112917025) is 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is GGTNALHIWVPJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4/c1-13-10-18(25(2)12-14-6-4-3-5-7-14)24-19(22-13)23-15-8-9-16(20)17(21)11-15/h3-11H,12H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 373.29 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112917025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).