(8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate

C19H28N4O4 — CID 10523576

IUPAC(8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate
SMILESCCCn1c(=O)[nH]c2nc(C3CCCC3)n(COC(=O)C(C)(C)C)c2c1=O
InChIInChI=1S/C19H28N4O4/c1-5-10-22-16(24)13-14(21-18(22)26)20-15(12-8-6-7-9-12)23(13)11-27-17(25)19(2,3)4/h12H,5-11H2,1-4H3,(H,21,26)
InChIKeyUOOSNTOSOBTPDR-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.50
Rot. Bonds5

About (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate

(8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate (PubChem CID 10523576) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate
PubChem CID10523576
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate
SMILESCCCn1c(=O)[nH]c2nc(C3CCCC3)n(COC(=O)C(C)(C)C)c2c1=O
InChIInChI=1S/C19H28N4O4/c1-5-10-22-16(24)13-14(21-18(22)26)20-15(12-8-6-7-9-12)23(13)11-27-17(25)19(2,3)4/h12H,5-11H2,1-4H3,(H,21,26)
InChIKeyUOOSNTOSOBTPDR-UHFFFAOYSA-N
XLogP2.50
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate (CID 10523576) is (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate is CCCn1c(=O)[nH]c2nc(C3CCCC3)n(COC(=O)C(C)(C)C)c2c1=O.
What is the InChIKey of (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is UOOSNTOSOBTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-5-10-22-16(24)13-14(21-18(22)26)20-15(12-8-6-7-9-12)23(13)11-27-17(25)19(2,3)4/h12H,5-11H2,1-4H3,(H,21,26).
What are the key properties of (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate?
(8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 376.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyclopentyl-2,6-dioxo-1-propyl-3H-purin-7-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10523576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).