1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone

C19H23N5O3 — CID 109329875

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109329875) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

• Compound Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
• PubChem CID: 109329875
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCC3(CC2)OCCO3)nc(NCc2cccnc2)n1
• InChI: InChI=1S/C19H23N5O3/c1-14-11-16(23-18(22-14)21-13-15-3-2-6-20-12-15)17(25)24-7-4-19(5-8-24)26-9-10-27-19/h2-3,6,11-12H,4-5,7-10,13H2,1H3,(H,21,22,23)
• InChIKey: IBPUIYNJFRQQQD-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone?

The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone (CID 109329875) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone.

What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone?

The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCC3(CC2)OCCO3)nc(NCc2cccnc2)n1.

What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone?

The InChIKey is IBPUIYNJFRQQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14-11-16(23-18(22-14)21-13-15-3-2-6-20-12-15)17(25)24-7-4-19(5-8-24)26-9-10-27-19/h2-3,6,11-12H,4-5,7-10,13H2,1H3,(H,21,22,23).

What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone?

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109329875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).