6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

C21H24N4O2 — CID 112874979

IUPAC6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3ccccc3C)nc(C)n2)cc1OC
InChIInChI=1S/C21H24N4O2/c1-14-7-5-6-8-17(14)25-21-12-20(23-15(2)24-21)22-13-16-9-10-18(26-3)19(11-16)27-4/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyZWGSAPZPPQBWHW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.47
Rot. Bonds7

About 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112874979) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112874979
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3ccccc3C)nc(C)n2)cc1OC
InChIInChI=1S/C21H24N4O2/c1-14-7-5-6-8-17(14)25-21-12-20(23-15(2)24-21)22-13-16-9-10-18(26-3)19(11-16)27-4/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyZWGSAPZPPQBWHW-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-[(3,4-dimethoxyphenyl)methyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874991
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874986
4-N-(5-chloro-2-methylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875004
4-N-(2,4-difluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875018
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
4-N-(3,4-dimethoxyphenyl)-2-methyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871871
4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872974
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455
methyl 2-[[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112872987
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-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922746

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (CID 112874979) is 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is COc1ccc(CNc2cc(Nc3ccccc3C)nc(C)n2)cc1OC.
What is the InChIKey of 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZWGSAPZPPQBWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-7-5-6-8-17(14)25-21-12-20(23-15(2)24-21)22-13-16-9-10-18(26-3)19(11-16)27-4/h5-12H,13H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-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 6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112874979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).