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

C13H9Cl2N5 — CID 5328113

IUPAC6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C13H9Cl2N5/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)
InChIKeyYBGDFSNTQAQYRD-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.16
Rot. Bonds1

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

6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 5328113) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID5328113
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C13H9Cl2N5/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)
InChIKeyYBGDFSNTQAQYRD-UHFFFAOYSA-N
XLogP3.16
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (CID 5328113) is 6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is YBGDFSNTQAQYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/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-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 306.16 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 5328113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).