4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine

C15H19N5 — CID 22544255

IUPAC4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(Nc2ccc(CC)cc2)c1N
InChIInChI=1S/C15H19N5/c1-3-9-17-14-13(16)15(19-10-18-14)20-12-7-5-11(4-2)6-8-12/h3,5-8,10H,1,4,9,16H2,2H3,(H2,17,18,19,20)
InChIKeyXDAVZLOLMYUWKU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.96
Rot. Bonds6

About 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine

4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine (PubChem CID 22544255) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
PubChem CID22544255
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(Nc2ccc(CC)cc2)c1N
InChIInChI=1S/C15H19N5/c1-3-9-17-14-13(16)15(19-10-18-14)20-12-7-5-11(4-2)6-8-12/h3,5-8,10H,1,4,9,16H2,2H3,(H2,17,18,19,20)
InChIKeyXDAVZLOLMYUWKU-UHFFFAOYSA-N
XLogP2.96
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine 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-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544389
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540214
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
4-N-(4-ethylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22544441
4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 19135993
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 90136224
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine (CID 22544255) is 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine is C=CCNc1ncnc(Nc2ccc(CC)cc2)c1N.
What is the InChIKey of 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The InChIKey is XDAVZLOLMYUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-9-17-14-13(16)15(19-10-18-14)20-12-7-5-11(4-2)6-8-12/h3,5-8,10H,1,4,9,16H2,2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine has a molecular weight of 269.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).