5,6-dihydropyrido[3,4-d]pyrimidine

C7H7N3 — CID 54268594

IUPAC5,6-dihydropyrido[3,4-d]pyrimidine
SMILESC1=NCCc2cncnc21
InChIInChI=1S/C7H7N3/c1-2-8-4-7-6(1)3-9-5-10-7/h3-5H,1-2H2
InChIKeyCSLHPDBMTOAMIH-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.45
Rot. Bonds

About 5,6-dihydropyrido[3,4-d]pyrimidine

5,6-dihydropyrido[3,4-d]pyrimidine (PubChem CID 54268594) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 5,6-dihydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5,6-dihydropyrido[3,4-d]pyrimidine
PubChem CID54268594
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name5,6-dihydropyrido[3,4-d]pyrimidine
SMILESC1=NCCc2cncnc21
InChIInChI=1S/C7H7N3/c1-2-8-4-7-6(1)3-9-5-10-7/h3-5H,1-2H2
InChIKeyCSLHPDBMTOAMIH-UHFFFAOYSA-N
XLogP0.45
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydropyrido[3,4-d]pyrimidine?
The IUPAC name of 5,6-dihydropyrido[3,4-d]pyrimidine (CID 54268594) is 5,6-dihydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5,6-dihydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 5,6-dihydropyrido[3,4-d]pyrimidine is C1=NCCc2cncnc21.
What is the InChIKey of 5,6-dihydropyrido[3,4-d]pyrimidine?
The InChIKey is CSLHPDBMTOAMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-8-4-7-6(1)3-9-5-10-7/h3-5H,1-2H2.
What are the key properties of 5,6-dihydropyrido[3,4-d]pyrimidine?
5,6-dihydropyrido[3,4-d]pyrimidine has a molecular weight of 133.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 54268594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).