4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

C13H10IN5 — CID 5328071

IUPAC4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc(I)c3)c2cn1
InChIInChI=1S/C13H10IN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
InChIKeyXHAMGUHNIYOUSX-UHFFFAOYSA-N
MW363.16 g/mol
LogP2.96
Rot. Bonds2

About 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328071) has the molecular formula C13H10IN5 and a molecular weight of 363.16 g/mol. Its IUPAC name is 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328071
Molecular FormulaC13H10IN5
Molecular Weight363.16 g/mol
Exact Mass363.00
IUPAC Name4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc(I)c3)c2cn1
InChIInChI=1S/C13H10IN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
InChIKeyXHAMGUHNIYOUSX-UHFFFAOYSA-N
XLogP2.96
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328071) is 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is Nc1cc2ncnc(Nc3cccc(I)c3)c2cn1.
What is the InChIKey of 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is XHAMGUHNIYOUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19).
What are the key properties of 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 363.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).