2,8-dimethylpyrido[3,2-d]pyrimidine

C9H9N3 — CID 59432849

IUPAC2,8-dimethylpyrido[3,2-d]pyrimidine
SMILESCc1ncc2nccc(C)c2n1
InChIInChI=1S/C9H9N3/c1-6-3-4-10-8-5-11-7(2)12-9(6)8/h3-5H,1-2H3
InChIKeyRDLXTIQQESQMQW-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.64
Rot. Bonds

About 2,8-dimethylpyrido[3,2-d]pyrimidine

2,8-dimethylpyrido[3,2-d]pyrimidine (PubChem CID 59432849) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,8-dimethylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,8-dimethylpyrido[3,2-d]pyrimidine
PubChem CID59432849
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2,8-dimethylpyrido[3,2-d]pyrimidine
SMILESCc1ncc2nccc(C)c2n1
InChIInChI=1S/C9H9N3/c1-6-3-4-10-8-5-11-7(2)12-9(6)8/h3-5H,1-2H3
InChIKeyRDLXTIQQESQMQW-UHFFFAOYSA-N
XLogP1.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylpyrido[3,2-d]pyrimidine?
The IUPAC name of 2,8-dimethylpyrido[3,2-d]pyrimidine (CID 59432849) is 2,8-dimethylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2,8-dimethylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 2,8-dimethylpyrido[3,2-d]pyrimidine is Cc1ncc2nccc(C)c2n1.
What is the InChIKey of 2,8-dimethylpyrido[3,2-d]pyrimidine?
The InChIKey is RDLXTIQQESQMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-6-3-4-10-8-5-11-7(2)12-9(6)8/h3-5H,1-2H3.
What are the key properties of 2,8-dimethylpyrido[3,2-d]pyrimidine?
2,8-dimethylpyrido[3,2-d]pyrimidine has a molecular weight of 159.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 59432849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).