7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile

C23H32N6O3 — CID 142217422

About 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile

7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile (PubChem CID 142217422) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile
• PubChem CID: 142217422
• Molecular Formula: C23H32N6O3
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.25
• IUPAC Name: 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile
• SMILES: CCCN1C(=O)OC2(CCN(CC3Cc4cnc(C#N)nc4N3CC(C)(C)C)CC2)C1=O
• InChI: InChI=1S/C23H32N6O3/c1-5-8-28-20(30)23(32-21(28)31)6-9-27(10-7-23)14-17-11-16-13-25-18(12-24)26-19(16)29(17)15-22(2,3)4/h13,17H,5-11,14-15H2,1-4H3
• InChIKey: LDQWRIONFISYQH-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 102.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile?

The IUPAC name of 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile (CID 142217422) is 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile.

What is the SMILES notation for 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile?

The canonical SMILES for 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile is CCCN1C(=O)OC2(CCN(CC3Cc4cnc(C#N)nc4N3CC(C)(C)C)CC2)C1=O.

What is the InChIKey of 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile?

The InChIKey is LDQWRIONFISYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-5-8-28-20(30)23(32-21(28)31)6-9-27(10-7-23)14-17-11-16-13-25-18(12-24)26-19(16)29(17)15-22(2,3)4/h13,17H,5-11,14-15H2,1-4H3.

What are the key properties of 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile?

7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile has a molecular weight of 440.55 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 142217422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).