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

C22H24N4O2 — CID 112879637

IUPAC6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(NCCOc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-3-13-23-20-16-21(26-22(25-20)17-7-5-4-6-8-17)24-14-15-28-19-11-9-18(27-2)10-12-19/h3-12,16H,1,13-15H2,2H3,(H2,23,24,25,26)
InChIKeyVXDZKAZCEDSWIC-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.24
Rot. Bonds10

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

6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112879637) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112879637
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(NCCOc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-3-13-23-20-16-21(26-22(25-20)17-7-5-4-6-8-17)24-14-15-28-19-11-9-18(27-2)10-12-19/h3-12,16H,1,13-15H2,2H3,(H2,23,24,25,26)
InChIKeyVXDZKAZCEDSWIC-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
4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933451
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881558
4-N-(2,4-dimethoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879673
4-N-(3-methoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879665
4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907953
4-N-tert-butyl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879638
2-phenyl-6-N-prop-2-enyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112879695
2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
CID 4533537
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
methyl 4-[[2-phenyl-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate
CID 112879681

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine (CID 112879637) is 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(NCCOc2ccc(OC)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is VXDZKAZCEDSWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-13-23-20-16-21(26-22(25-20)17-7-5-4-6-8-17)24-14-15-28-19-11-9-18(27-2)10-12-19/h3-12,16H,1,13-15H2,2H3,(H2,23,24,25,26).
What are the key properties of 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine?
6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-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 6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).