6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H19N3O2 — CID 24928391

About 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928391) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24928391
• Molecular Formula: C18H19N3O2
• Molecular Weight: 309.37 g/mol
• Exact Mass: 309.15
• IUPAC Name: 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1cc(CN2CCc3nc(C4CC4)ncc3C2)c2c(c1)OCO2
• InChI: InChI=1S/C18H19N3O2/c1-2-13(17-16(3-1)22-11-23-17)9-21-7-6-15-14(10-21)8-19-18(20-15)12-4-5-12/h1-3,8,12H,4-7,9-11H2
• InChIKey: OEUWQOHYPZIZAU-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 47.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.37
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928391) is 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cc(CN2CCc3nc(C4CC4)ncc3C2)c2c(c1)OCO2.

What is the InChIKey of 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is OEUWQOHYPZIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-13(17-16(3-1)22-11-23-17)9-21-7-6-15-14(10-21)8-19-18(20-15)12-4-5-12/h1-3,8,12H,4-7,9-11H2.

What are the key properties of 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 309.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).