6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine

C13H9IN4 — CID 12904755

IUPAC6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1nc2ncncc2cc1-c1ccccc1I
InChIInChI=1S/C13H9IN4/c14-11-4-2-1-3-9(11)10-5-8-6-16-7-17-13(8)18-12(10)15/h1-7H,(H2,15,16,17,18)
InChIKeyLLDJCMXWHQVTPR-UHFFFAOYSA-N
MW348.15 g/mol
LogP2.88
Rot. Bonds1

About 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine

6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine (PubChem CID 12904755) has the molecular formula C13H9IN4 and a molecular weight of 348.15 g/mol. Its IUPAC name is 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine
PubChem CID12904755
Molecular FormulaC13H9IN4
Molecular Weight348.15 g/mol
Exact Mass347.99
IUPAC Name6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1nc2ncncc2cc1-c1ccccc1I
InChIInChI=1S/C13H9IN4/c14-11-4-2-1-3-9(11)10-5-8-6-16-7-17-13(8)18-12(10)15/h1-7H,(H2,15,16,17,18)
InChIKeyLLDJCMXWHQVTPR-UHFFFAOYSA-N
XLogP2.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pteridine-6,7-diamine
CID 119097307
2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
CID 102403996
pyrimido[4,5-d]pyrimidin-2-amine
CID 55290968
4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline
CID 155718233
3-(2-fluorophenyl)-1,6-naphthyridin-2-amine
CID 171354245
ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 91413319
7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
CID 168908169
4-N-(2-iodophenyl)pyrimidine-4,5-diamine
CID 79918939
phenanthrene;quinazoline
CID 175352249
4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene
CID 175745072
7-fluoro-6-iodoquinazoline
CID 141012684
2-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine (CID 12904755) is 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine is Nc1nc2ncncc2cc1-c1ccccc1I.
What is the InChIKey of 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is LLDJCMXWHQVTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN4/c14-11-4-2-1-3-9(11)10-5-8-6-16-7-17-13(8)18-12(10)15/h1-7H,(H2,15,16,17,18).
What are the key properties of 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine?
6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 348.15 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 12904755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).