5-[(1-Naphthylamino)methyl]furo[2,3-d]pyrimidine-2,4-diamine

HCID 457718

Notes Reactions

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Basic information

Standard SMILES: Nc1nc(N)c2c(CNc3cccc4ccccc34)coc2n1
InChIKey: WQSMNBXTJAZIED-UHFFFAOYSA-N
Molecular formula: C17H15N5O
Average molar mass: 305.33 g/mol
Monoisotopic mass: 305.12766012

Names & identifiers

Preferred name: 5-[(1-Naphthylamino)methyl]furo[2,3-d]pyrimidine-2,4-diamine
IUPAC: 5-[(naphthalen-1-ylamino)methyl]furo[2,3-d]pyrimidine-2,4-diamine

Names & synonyms

CHEMBL238465-(Naphthalen-1-ylaminomethyl)-furo[2,3-d]pyrimidine-2,4-diamineSCHEMBL6307851WQSMNBXTJAZIED-UHFFFAOYSA-N5-[(1-naphthylamino)methyl]furo[2,3-d]pyrimidine-2,4-diamineBDBM500639912,4-Diamino-5-[(1-naphthylamino)methyl]furo[2,3-d]pyrimidine5-((naphthalen-1-ylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine

Database identifiers

PubChem CID: 457718
ChEMBL: CHEMBL23846
Nikkaji: J952.516E

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 103 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 408

Related reactions

2 records

New reaction record

HRID 1141871As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1862394As productuspto-grants-2003_03

Compound notes

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