2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

C23H28N4O — CID 112921410

IUPAC2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2nc(C)cc(Nc3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C23H28N4O/c1-15-12-16(2)22(17(3)13-15)26-21-14-18(4)25-23(27-21)24-11-10-19-6-8-20(28-5)9-7-19/h6-9,12-14H,10-11H2,1-5H3,(H2,24,25,26,27)
InChIKeyMHUUJQAQGRZLSB-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.12
Rot. Bonds7

About 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 112921410) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
PubChem CID112921410
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2nc(C)cc(Nc3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C23H28N4O/c1-15-12-16(2)22(17(3)13-15)26-21-14-18(4)25-23(27-21)24-11-10-19-6-8-20(28-5)9-7-19/h6-9,12-14H,10-11H2,1-5H3,(H2,24,25,26,27)
InChIKeyMHUUJQAQGRZLSB-UHFFFAOYSA-N
XLogP5.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,4-dimethylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921398
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918617
4-N-(4-chloro-2-methylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921420
2-N-(2,4-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921312
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895521
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112921408
1-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112921437
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917972
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920901
3-[[2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112921451

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (CID 112921410) is 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is COc1ccc(CCNc2nc(C)cc(Nc3c(C)cc(C)cc3C)n2)cc1.
What is the InChIKey of 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is MHUUJQAQGRZLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15-12-16(2)22(17(3)13-15)26-21-14-18(4)25-23(27-21)24-11-10-19-6-8-20(28-5)9-7-19/h6-9,12-14H,10-11H2,1-5H3,(H2,24,25,26,27).
What are the key properties of 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 376.50 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112921410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).