4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine

C21H24N4O2 — CID 112872974

IUPAC4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3cc(C)ccc3OC)nc(C)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-5-10-19(27-4)18(11-14)25-21-12-20(23-15(2)24-21)22-13-16-6-8-17(26-3)9-7-16/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyADJOFMNEUHNYRT-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.47
Rot. Bonds7

About 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine

4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112872974) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112872974
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3cc(C)ccc3OC)nc(C)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-5-10-19(27-4)18(11-14)25-21-12-20(23-15(2)24-21)22-13-16-6-8-17(26-3)9-7-16/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyADJOFMNEUHNYRT-UHFFFAOYSA-N
XLogP4.47
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
4-N-(2,4-dimethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872941
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874986
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872962
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
methyl 2-[[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112872987
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872394
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112874979
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine (CID 112872974) is 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine is COc1ccc(CNc2cc(Nc3cc(C)ccc3OC)nc(C)n2)cc1.
What is the InChIKey of 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is ADJOFMNEUHNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-5-10-19(27-4)18(11-14)25-21-12-20(23-15(2)24-21)22-13-16-6-8-17(26-3)9-7-16/h5-12H,13H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine?
4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112872974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).