4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine

C17H23N5O — CID 2884450

IUPAC4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESNc1nc(NCCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O/c18-17-20-15(14-5-2-1-3-6-14)13-16(21-17)19-7-4-8-22-9-11-23-12-10-22/h1-3,5-6,13H,4,7-12H2,(H3,18,19,20,21)
InChIKeyHMWKCUPTXOVMLG-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.86
Rot. Bonds6

About 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine

4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 2884450) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID2884450
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESNc1nc(NCCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O/c18-17-20-15(14-5-2-1-3-6-14)13-16(21-17)19-7-4-8-22-9-11-23-12-10-22/h1-3,5-6,13H,4,7-12H2,(H3,18,19,20,21)
InChIKeyHMWKCUPTXOVMLG-UHFFFAOYSA-N
XLogP1.86
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine (CID 2884450) is 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine is Nc1nc(NCCCN2CCOCC2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is HMWKCUPTXOVMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c18-17-20-15(14-5-2-1-3-6-14)13-16(21-17)19-7-4-8-22-9-11-23-12-10-22/h1-3,5-6,13H,4,7-12H2,(H3,18,19,20,21).
What are the key properties of 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine?
4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 313.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-morpholin-4-ylpropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 2884450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).