4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine

C19H19ClN4 — CID 112916973

IUPAC4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4/c1-14-12-18(24(2)13-15-6-4-3-5-7-15)23-19(21-14)22-17-10-8-16(20)9-11-17/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyBJZBWQSLCGSBNQ-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.82
Rot. Bonds5

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

4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112916973) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112916973
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4/c1-14-12-18(24(2)13-15-6-4-3-5-7-15)23-19(21-14)22-17-10-8-16(20)9-11-17/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyBJZBWQSLCGSBNQ-UHFFFAOYSA-N
XLogP4.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916961
4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112917039
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
4-N-benzyl-2-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918934
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-2-N-(3-chloro-4-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918933
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 112916973) is 4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is BJZBWQSLCGSBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-14-12-18(24(2)13-15-6-4-3-5-7-15)23-19(21-14)22-17-10-8-16(20)9-11-17/h3-12H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.82, 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-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112916973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).