6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine

C13H9Br2N5 — CID 5328120

IUPAC6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESNc1ncc2cc(-c3c(Br)cccc3Br)c(N)nc2n1
InChIInChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
InChIKeyHGIPWJYTPOHUGK-UHFFFAOYSA-N
MW395.06 g/mol
LogP3.38
Rot. Bonds1

About 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine

6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 5328120) has the molecular formula C13H9Br2N5 and a molecular weight of 395.06 g/mol. Its IUPAC name is 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID5328120
Molecular FormulaC13H9Br2N5
Molecular Weight395.06 g/mol
Exact Mass392.92
IUPAC Name6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESNc1ncc2cc(-c3c(Br)cccc3Br)c(N)nc2n1
InChIInChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
InChIKeyHGIPWJYTPOHUGK-UHFFFAOYSA-N
XLogP3.38
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.06
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (CID 5328120) is 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is Nc1ncc2cc(-c3c(Br)cccc3Br)c(N)nc2n1.
What is the InChIKey of 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is HGIPWJYTPOHUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20).
What are the key properties of 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 395.06 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 5328120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).