4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C19H18BrN7 — CID 5328368

IUPAC4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESBrc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)cc23)c1
InChIInChI=1S/C19H18BrN7/c20-14-3-1-4-15(9-14)26-19-16-10-18(23-11-17(16)24-12-25-19)22-5-2-7-27-8-6-21-13-27/h1,3-4,6,8-13H,2,5,7H2,(H,22,23)(H,24,25,26)
InChIKeyIUQWETRSDSASNL-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.23
Rot. Bonds7

About 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328368) has the molecular formula C19H18BrN7 and a molecular weight of 424.31 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328368
Molecular FormulaC19H18BrN7
Molecular Weight424.31 g/mol
Exact Mass423.08
IUPAC Name4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESBrc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)cc23)c1
InChIInChI=1S/C19H18BrN7/c20-14-3-1-4-15(9-14)26-19-16-10-18(23-11-17(16)24-12-25-19)22-5-2-7-27-8-6-21-13-27/h1,3-4,6,8-13H,2,5,7H2,(H,22,23)(H,24,25,26)
InChIKeyIUQWETRSDSASNL-UHFFFAOYSA-N
XLogP4.23
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-N-(3-imidazol-1-ylpropyl)-4-oxopent-2-enamide
CID 44564235
4-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]butane-1,2-diol
CID 18358918
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
CID 86305832
2-imidazol-1-ylethyl (E)-5-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-5-oxopent-3-enoate
CID 57478985
N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine
CID 5328318
6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine
CID 172881986
1-[3-[[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 23486225
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
CID 75483061
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328368) is 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine is Brc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)cc23)c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is IUQWETRSDSASNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7/c20-14-3-1-4-15(9-14)26-19-16-10-18(23-11-17(16)24-12-25-19)22-5-2-7-27-8-6-21-13-27/h1,3-4,6,8-13H,2,5,7H2,(H,22,23)(H,24,25,26).
What are the key properties of 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 424.31 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).