2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine

C23H28N4O2 — CID 112922586

IUPAC2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2cc(C)nc(NCCc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C23H28N4O2/c1-5-17-6-9-19(10-7-17)26-22-14-16(2)25-23(27-22)24-13-12-18-8-11-20(28-3)21(15-18)29-4/h6-11,14-15H,5,12-13H2,1-4H3,(H2,24,25,26,27)
InChIKeyFNVSUDYZFLEONO-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.76
Rot. Bonds9

About 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112922586) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112922586
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2cc(C)nc(NCCc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C23H28N4O2/c1-5-17-6-9-19(10-7-17)26-22-14-16(2)25-23(27-22)24-13-12-18-8-11-20(28-3)21(15-18)29-4/h6-11,14-15H,5,12-13H2,1-4H3,(H2,24,25,26,27)
InChIKeyFNVSUDYZFLEONO-UHFFFAOYSA-N
XLogP4.76
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112922789
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922553
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922819
4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925498
4-N-(3-chloro-4-methylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922814
4-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920891
4-[[2-[(3,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194295
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925313
2-N-(3-chlorophenyl)-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922555
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922544

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112922586) is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine is CCc1ccc(Nc2cc(C)nc(NCCc3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is FNVSUDYZFLEONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-17-6-9-19(10-7-17)26-22-14-16(2)25-23(27-22)24-13-12-18-8-11-20(28-3)21(15-18)29-4/h6-11,14-15H,5,12-13H2,1-4H3,(H2,24,25,26,27).
What are the key properties of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 392.50 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112922586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).