9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one

C11H13N5O2 — CID 142742460

IUPAC9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one
SMILESCn1c(=O)n(C(=O)N2CCCC2)c2cncnc21
InChIInChI=1S/C11H13N5O2/c1-14-9-8(6-12-7-13-9)16(10(14)17)11(18)15-4-2-3-5-15/h6-7H,2-5H2,1H3
InChIKeyAVWINHBUBIPNPF-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.19
Rot. Bonds

About 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one

9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one (PubChem CID 142742460) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one.

Molecular Properties

Compound Name9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one
PubChem CID142742460
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one
SMILESCn1c(=O)n(C(=O)N2CCCC2)c2cncnc21
InChIInChI=1S/C11H13N5O2/c1-14-9-8(6-12-7-13-9)16(10(14)17)11(18)15-4-2-3-5-15/h6-7H,2-5H2,1H3
InChIKeyAVWINHBUBIPNPF-UHFFFAOYSA-N
XLogP0.19
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-7-methyl-9-(pyrrolidine-1-carbonyl)purin-8-one
CID 88581581
N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
CID 87051759
9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one
CID 53181163
7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
CID 53181166
7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one
CID 87051726
6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 165398615
1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 84656301
6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175780859
N-pyrimidin-5-ylpyrrolidine-1-carboxamide
CID 104859346
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 175780838
piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 66996021

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one?
The IUPAC name of 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one (CID 142742460) is 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one.
What is the SMILES notation for 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one?
The canonical SMILES for 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one is Cn1c(=O)n(C(=O)N2CCCC2)c2cncnc21.
What is the InChIKey of 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one?
The InChIKey is AVWINHBUBIPNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-14-9-8(6-12-7-13-9)16(10(14)17)11(18)15-4-2-3-5-15/h6-7H,2-5H2,1H3.
What are the key properties of 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one?
9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one has a molecular weight of 247.26 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one is sourced from PubChem (CID 142742460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).