5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride

C20H27Cl2N5O2 — CID 137091921

About 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride

5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137091921) has the molecular formula C20H27Cl2N5O2 and a molecular weight of 440.38 g/mol. Its IUPAC name is 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

• Compound Name: 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride
• PubChem CID: 137091921
• Molecular Formula: C20H27Cl2N5O2
• Molecular Weight: 440.38 g/mol
• Exact Mass: 439.15
• IUPAC Name: 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride
• SMILES: Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC2(CCNC2)CC1.Cl.Cl
• InChI: InChI=1S/C20H25N5O2.2ClH/c1-14-16(19(27)24-18(23-14)15-3-2-7-21-12-15)11-17(26)25-9-5-20(6-10-25)4-8-22-13-20;;/h2-3,7,12,22H,4-6,8-11,13H2,1H3,(H,23,24,27);2*1H
• InChIKey: DEKMNBALDJDVNP-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.38
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride?

The IUPAC name of 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride (CID 137091921) is 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride.

What is the SMILES notation for 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride?

The canonical SMILES for 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride is Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC2(CCNC2)CC1.Cl.Cl.

What is the InChIKey of 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride?

The InChIKey is DEKMNBALDJDVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.2ClH/c1-14-16(19(27)24-18(23-14)15-3-2-7-21-12-15)11-17(26)25-9-5-20(6-10-25)4-8-22-13-20;;/h2-3,7,12,22H,4-6,8-11,13H2,1H3,(H,23,24,27);2*1H.

What are the key properties of 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride?

5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 440.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137091921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).