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

C18H23N3O2 — CID 24930173

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

2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol (PubChem CID 24930173) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol.

Molecular Properties

• Compound Name: 2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
• PubChem CID: 24930173
• Molecular Formula: C18H23N3O2
• Molecular Weight: 313.40 g/mol
• Exact Mass: 313.18
• IUPAC Name: 2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
• SMILES: COc1ccc(CN2CCc3cnc(C(C)C)nc3C2)cc1O
• InChI: InChI=1S/C18H23N3O2/c1-12(2)18-19-9-14-6-7-21(11-15(14)20-18)10-13-4-5-17(23-3)16(22)8-13/h4-5,8-9,12,22H,6-7,10-11H2,1-3H3
• InChIKey: RLGBZKDBEKDWPH-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol (CID 24930173) is 2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol.

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

The canonical SMILES for 2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol is COc1ccc(CN2CCc3cnc(C(C)C)nc3C2)cc1O.

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

The InChIKey is RLGBZKDBEKDWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)18-19-9-14-6-7-21(11-15(14)20-18)10-13-4-5-17(23-3)16(22)8-13/h4-5,8-9,12,22H,6-7,10-11H2,1-3H3.

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

2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol has a molecular weight of 313.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol is sourced from PubChem (CID 24930173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).