6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H18N6O — CID 24917067

About 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917067) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24917067
• Molecular Formula: C18H18N6O
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.15
• IUPAC Name: 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1cncc(CN2CCc3nc(-c4cncnc4)ncc3C2)c1
• InChI: InChI=1S/C18H18N6O/c1-25-16-4-13(5-19-9-16)10-24-3-2-17-15(11-24)8-22-18(23-17)14-6-20-12-21-7-14/h4-9,12H,2-3,10-11H2,1H3
• InChIKey: ITVMWDFGXLGZKA-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 76.92 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917067) is 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cncc(CN2CCc3nc(-c4cncnc4)ncc3C2)c1.

What is the InChIKey of 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is ITVMWDFGXLGZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-25-16-4-13(5-19-9-16)10-24-3-2-17-15(11-24)8-22-18(23-17)14-6-20-12-21-7-14/h4-9,12H,2-3,10-11H2,1H3.

What are the key properties of 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 334.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).