4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine

C22H24N4O2 — CID 112933451

IUPAC4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(NCCOc2ccc(OC)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-3-13-24-22-25-20(17-7-5-4-6-8-17)16-21(26-22)23-14-15-28-19-11-9-18(27-2)10-12-19/h3-12,16H,1,13-15H2,2H3,(H2,23,24,25,26)
InChIKeyOJXDXEHNCBWYCH-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.24
Rot. Bonds10

About 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine

4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112933451) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112933451
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(NCCOc2ccc(OC)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-3-13-24-22-25-20(17-7-5-4-6-8-17)16-21(26-22)23-14-15-28-19-11-9-18(27-2)10-12-19/h3-12,16H,1,13-15H2,2H3,(H2,23,24,25,26)
InChIKeyOJXDXEHNCBWYCH-UHFFFAOYSA-N
XLogP4.24
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933302
2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879637
4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907953
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933524
4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylbutyl)-6-phenylpyrimidine-2,4-diamine
CID 112937070
2-N-(4-ethoxyphenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934938
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933264
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933276

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112933451) is 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nc(NCCOc2ccc(OC)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is OJXDXEHNCBWYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-13-24-22-25-20(17-7-5-4-6-8-17)16-21(26-22)23-14-15-28-19-11-9-18(27-2)10-12-19/h3-12,16H,1,13-15H2,2H3,(H2,23,24,25,26).
What are the key properties of 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 376.46 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).