5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine

C25H25BrN6O2 — CID 142791566

About 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 142791566) has the molecular formula C25H25BrN6O2 and a molecular weight of 521.42 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 142791566
• Molecular Formula: C25H25BrN6O2
• Molecular Weight: 521.42 g/mol
• Exact Mass: 520.12
• IUPAC Name: 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine
• SMILES: Nc1ncnc2c1N(c1cccc(Br)c1)CC(c1ccc(N3CCC4(CC3)OCCO4)nc1)=C2
• InChI: InChI=1S/C25H25BrN6O2/c26-19-2-1-3-20(13-19)32-15-18(12-21-23(32)24(27)30-16-29-21)17-4-5-22(28-14-17)31-8-6-25(7-9-31)33-10-11-34-25/h1-5,12-14,16H,6-11,15H2,(H2,27,29,30)
• InChIKey: SKHXVAOCIMHAAR-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 89.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.42
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine (CID 142791566) is 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2c1N(c1cccc(Br)c1)CC(c1ccc(N3CCC4(CC3)OCCO4)nc1)=C2.

What is the InChIKey of 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is SKHXVAOCIMHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN6O2/c26-19-2-1-3-20(13-19)32-15-18(12-21-23(32)24(27)30-16-29-21)17-4-5-22(28-14-17)31-8-6-25(7-9-31)33-10-11-34-25/h1-5,12-14,16H,6-11,15H2,(H2,27,29,30).

What are the key properties of 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine?

5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 521.42 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-6H-pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 142791566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).