2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine

C17H24N4 — CID 112900354

IUPAC2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1ccnc(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C17H24N4/c1-3-5-6-12-18-16-11-13-19-17(21-16)20-15-9-7-14(4-2)8-10-15/h7-11,13H,3-6,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyYSAZTRDYNRIJSF-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.38
Rot. Bonds8

About 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine

2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 112900354) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine
PubChem CID112900354
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1ccnc(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C17H24N4/c1-3-5-6-12-18-16-11-13-19-17(21-16)20-15-9-7-14(4-2)8-10-15/h7-11,13H,3-6,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyYSAZTRDYNRIJSF-UHFFFAOYSA-N
XLogP4.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine 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

2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900364
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
4-[[4-(butylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112882981
2-N-(4-bromo-3-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900416
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112885458
2-N-(3-bromo-4-methylphenyl)-4-N-butylpyrimidine-2,4-diamine
CID 112882918
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925498
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485
4-N-[(4-chlorophenyl)methyl]-2-N-pentylpyrimidine-2,4-diamine
CID 112891913

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine (CID 112900354) is 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1ccnc(Nc2ccc(CC)cc2)n1.
What is the InChIKey of 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is YSAZTRDYNRIJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-5-6-12-18-16-11-13-19-17(21-16)20-15-9-7-14(4-2)8-10-15/h7-11,13H,3-6,12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine?
2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).