4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine

C18H21N5O2 — CID 66815379

IUPAC4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine
SMILESCCOCCCOc1nc(N)nc2ccc(Nc3ccccc3)nc12
InChIInChI=1S/C18H21N5O2/c1-2-24-11-6-12-25-17-16-14(21-18(19)23-17)9-10-15(22-16)20-13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyHUQQTPCXAJGPFS-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.16
Rot. Bonds8

About 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine

4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine (PubChem CID 66815379) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine.

Molecular Properties

Compound Name4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine
PubChem CID66815379
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine
SMILESCCOCCCOc1nc(N)nc2ccc(Nc3ccccc3)nc12
InChIInChI=1S/C18H21N5O2/c1-2-24-11-6-12-25-17-16-14(21-18(19)23-17)9-10-15(22-16)20-13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyHUQQTPCXAJGPFS-UHFFFAOYSA-N
XLogP3.16
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-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-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine?
The IUPAC name of 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine (CID 66815379) is 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine.
What is the SMILES notation for 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine?
The canonical SMILES for 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine is CCOCCCOc1nc(N)nc2ccc(Nc3ccccc3)nc12.
What is the InChIKey of 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine?
The InChIKey is HUQQTPCXAJGPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-24-11-6-12-25-17-16-14(21-18(19)23-17)9-10-15(22-16)20-13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine?
4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine has a molecular weight of 339.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 66815379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).