4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

C21H24N4O2 — CID 112872258

IUPAC4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(N(C)Cc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C21H24N4O2/c1-15-22-20(24-18-12-17(26-3)10-11-19(18)27-4)13-21(23-15)25(2)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,23,24)
InChIKeyKUNCLXALXJCXFT-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.18
Rot. Bonds7

About 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 112872258) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID112872258
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(N(C)Cc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C21H24N4O2/c1-15-22-20(24-18-12-17(26-3)10-11-19(18)27-4)13-21(23-15)25(2)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,23,24)
InChIKeyKUNCLXALXJCXFT-UHFFFAOYSA-N
XLogP4.18
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872251
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
4-N-benzyl-4-N-ethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112873175
N-[4-[[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112872267
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872394
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
4-N-benzyl-6-N-(3-methoxyphenyl)-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876099
4-N-benzyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859540
2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170343
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (CID 112872258) is 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is COc1ccc(OC)c(Nc2cc(N(C)Cc3ccccc3)nc(C)n2)c1.
What is the InChIKey of 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is KUNCLXALXJCXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-22-20(24-18-12-17(26-3)10-11-19(18)27-4)13-21(23-15)25(2)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112872258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).