4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C19H18N6 — CID 133407838

IUPAC4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCCNc3cccc4ccccc34)ncnc2n1
InChIInChI=1S/C19H18N6/c20-17-9-8-15-18(23-12-24-19(15)25-17)22-11-10-21-16-7-3-5-13-4-1-2-6-14(13)16/h1-9,12,21H,10-11H2,(H3,20,22,23,24,25)
InChIKeyGPNHGGRFQANWAS-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.28
Rot. Bonds5

About 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133407838) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133407838
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCCNc3cccc4ccccc34)ncnc2n1
InChIInChI=1S/C19H18N6/c20-17-9-8-15-18(23-12-24-19(15)25-17)22-11-10-21-16-7-3-5-13-4-1-2-6-14(13)16/h1-9,12,21H,10-11H2,(H3,20,22,23,24,25)
InChIKeyGPNHGGRFQANWAS-UHFFFAOYSA-N
XLogP3.28
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-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-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133407838) is 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCCNc3cccc4ccccc34)ncnc2n1.
What is the InChIKey of 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is GPNHGGRFQANWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c20-17-9-8-15-18(23-12-24-19(15)25-17)22-11-10-21-16-7-3-5-13-4-1-2-6-14(13)16/h1-9,12,21H,10-11H2,(H3,20,22,23,24,25).
What are the key properties of 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 330.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133407838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).