8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C20H27N7O3 — CID 177341126

IUPAC8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCC(Nc1ncc3c(n1)n(C1CCCC1)c(=O)n3C)CC2
InChIInChI=1S/C20H27N7O3/c1-25-14-11-21-17(23-15(14)27(19(25)30)13-5-3-4-6-13)22-12-7-9-20(10-8-12)16(28)24-18(29)26(20)2/h11-13H,3-10H2,1-2H3,(H,21,22,23)(H,24,28,29)
InChIKeyJGLGVMFORBQOCI-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.52
Rot. Bonds3

About 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 177341126) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID177341126
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC Name8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCC(Nc1ncc3c(n1)n(C1CCCC1)c(=O)n3C)CC2
InChIInChI=1S/C20H27N7O3/c1-25-14-11-21-17(23-15(14)27(19(25)30)13-5-3-4-6-13)22-12-7-9-20(10-8-12)16(28)24-18(29)26(20)2/h11-13H,3-10H2,1-2H3,(H,21,22,23)(H,24,28,29)
InChIKeyJGLGVMFORBQOCI-UHFFFAOYSA-N
XLogP1.52
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
CID 177341135
8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
CID 154640809
9-cyclopentyl-7-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]purin-8-one
CID 177341136
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-7-methylpurin-8-one
CID 67159329
9-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methylpurin-8-one
CID 67159293
9-[3-[4-[9-cyclopentyl-2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]-8-oxopurin-7-yl]-2-hydroxybutoxy]-3-methylcyclopentyl]-7-methyl-2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]purin-8-one
CID 177341160
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
CID 146275593
9-(4-hydroxy-4-methylcyclohexyl)-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 159157917
9-(1,1-dimethylthiepan-4-yl)-7-methyl-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 176919004
N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 21039989
2-chloro-7-methyl-9-(2-oxaspiro[3.5]nonan-7-yl)purin-8-one
CID 156565107

Frequently Asked Questions

What is the IUPAC name of 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 177341126) is 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC(=O)C12CCC(Nc1ncc3c(n1)n(C1CCCC1)c(=O)n3C)CC2.
What is the InChIKey of 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JGLGVMFORBQOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c1-25-14-11-21-17(23-15(14)27(19(25)30)13-5-3-4-6-13)22-12-7-9-20(10-8-12)16(28)24-18(29)26(20)2/h11-13H,3-10H2,1-2H3,(H,21,22,23)(H,24,28,29).
What are the key properties of 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 413.48 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 177341126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).