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

C21H24N4 — CID 112916958

IUPAC4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C21H24N4/c1-15-9-8-10-16(2)20(15)24-21-22-17(3)13-19(23-21)25(4)14-18-11-6-5-7-12-18/h5-13H,14H2,1-4H3,(H,22,23,24)
InChIKeyDKHUJIPMVIUNMT-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.78
Rot. Bonds5

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

4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112916958) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112916958
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C21H24N4/c1-15-9-8-10-16(2)20(15)24-21-22-17(3)13-19(23-21)25(4)14-18-11-6-5-7-12-18/h5-13H,14H2,1-4H3,(H,22,23,24)
InChIKeyDKHUJIPMVIUNMT-UHFFFAOYSA-N
XLogP4.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916963
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
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-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
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
methyl 2-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917001
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
4-N-benzyl-4-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112918908
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 112916958) is 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)Cc2ccccc2)nc(Nc2c(C)cccc2C)n1.
What is the InChIKey of 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is DKHUJIPMVIUNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-9-8-10-16(2)20(15)24-21-22-17(3)13-19(23-21)25(4)14-18-11-6-5-7-12-18/h5-13H,14H2,1-4H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.78, 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-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112916958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).