2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine

C20H19N3O — CID 170619915

IUPAC2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
SMILESC=C(C)Cc1nccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O/c1-15(2)14-20-21-13-12-19(23-20)22-16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-13H,1,14H2,2H3,(H,21,22,23)
InChIKeyMLQJNRGNIFFWDW-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.13
Rot. Bonds6

About 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine

2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine (PubChem CID 170619915) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
PubChem CID170619915
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
SMILESC=C(C)Cc1nccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O/c1-15(2)14-20-21-13-12-19(23-20)22-16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-13H,1,14H2,2H3,(H,21,22,23)
InChIKeyMLQJNRGNIFFWDW-UHFFFAOYSA-N
XLogP5.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol
CID 175988564
[4-(4-phenoxyanilino)pyrimidin-2-yl]methyl N,N-dimethylcarbamimidate
CID 177284291
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112899230
1-[4-[[2-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905673
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
2-N-(4-phenoxyphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882615
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112885806

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine (CID 170619915) is 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine is C=C(C)Cc1nccc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The InChIKey is MLQJNRGNIFFWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15(2)14-20-21-13-12-19(23-20)22-16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-13H,1,14H2,2H3,(H,21,22,23).
What are the key properties of 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine?
2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine has a molecular weight of 317.39 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 170619915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).