5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C29H37BrN4O2 — CID 166141803

About 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 166141803) has the molecular formula C29H37BrN4O2 and a molecular weight of 553.55 g/mol. Its IUPAC name is 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 166141803
• Molecular Formula: C29H37BrN4O2
• Molecular Weight: 553.55 g/mol
• Exact Mass: 552.21
• IUPAC Name: 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: CCCN(CCC)CC1(COc2nc(C)c3c(n2)CN(c2cc(O)cc4cccc(Br)c24)CC3)CC1
• InChI: InChI=1S/C29H37BrN4O2/c1-4-12-33(13-5-2)18-29(10-11-29)19-36-28-31-20(3)23-9-14-34(17-25(23)32-28)26-16-22(35)15-21-7-6-8-24(30)27(21)26/h6-8,15-16,35H,4-5,9-14,17-19H2,1-3H3
• InChIKey: UDLXLTPKLWFAGV-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 61.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.55
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 166141803) is 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is CCCN(CCC)CC1(COc2nc(C)c3c(n2)CN(c2cc(O)cc4cccc(Br)c24)CC3)CC1.

What is the InChIKey of 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is UDLXLTPKLWFAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37BrN4O2/c1-4-12-33(13-5-2)18-29(10-11-29)19-36-28-31-20(3)23-9-14-34(17-25(23)32-28)26-16-22(35)15-21-7-6-8-24(30)27(21)26/h6-8,15-16,35H,4-5,9-14,17-19H2,1-3H3.

What are the key properties of 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 553.55 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-[2-[[1-[(dipropylamino)methyl]cyclopropyl]methoxy]-4-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 166141803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).