8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one

C27H39N5O3 — CID 155198406

About 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 155198406) has the molecular formula C27H39N5O3 and a molecular weight of 481.64 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 155198406
• Molecular Formula: C27H39N5O3
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.31
• IUPAC Name: 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one
• SMILES: COc1cnc(N2CC3(CCC(C4=CC=CCC4C)(N(C)C)CC3)N(CC3(O)CCC3)C2=O)nc1
• InChI: InChI=1S/C27H39N5O3/c1-20-8-5-6-9-22(20)27(30(2)3)14-12-25(13-15-27)18-31(23-28-16-21(35-4)17-29-23)24(33)32(25)19-26(34)10-7-11-26/h5-6,9,16-17,20,34H,7-8,10-15,18-19H2,1-4H3
• InChIKey: AMGJDZHMJVNZSD-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 82.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 155198406) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one is COc1cnc(N2CC3(CCC(C4=CC=CCC4C)(N(C)C)CC3)N(CC3(O)CCC3)C2=O)nc1.

What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is AMGJDZHMJVNZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O3/c1-20-8-5-6-9-22(20)27(30(2)3)14-12-25(13-15-27)18-31(23-28-16-21(35-4)17-29-23)24(33)32(25)19-26(34)10-7-11-26/h5-6,9,16-17,20,34H,7-8,10-15,18-19H2,1-4H3.

What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one?

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 481.64 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155198406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).