7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine

C14H19N7O2 — CID 142421885

IUPAC7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine
SMILESCC1CCNC1.Cn1cnc2ncn(Cc3ncno3)c(=O)c21
InChIInChI=1S/C9H8N6O2.C5H11N/c1-14-4-11-8-7(14)9(16)15(5-12-8)2-6-10-3-13-17-6;1-5-2-3-6-4-5/h3-5H,2H2,1H3;5-6H,2-4H2,1H3
InChIKeyDNQUHSWUMSQLCV-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.18
Rot. Bonds2

About 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine

7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine (PubChem CID 142421885) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine.

Molecular Properties

Compound Name7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine
PubChem CID142421885
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine
SMILESCC1CCNC1.Cn1cnc2ncn(Cc3ncno3)c(=O)c21
InChIInChI=1S/C9H8N6O2.C5H11N/c1-14-4-11-8-7(14)9(16)15(5-12-8)2-6-10-3-13-17-6;1-5-2-3-6-4-5/h3-5H,2H2,1H3;5-6H,2-4H2,1H3
InChIKeyDNQUHSWUMSQLCV-UHFFFAOYSA-N
XLogP0.18
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Ait-034
CID 135484546
CH-13584
CID 163975
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(5-(2-((1-methyethyl)amino)ethyl)-1,2,4-oxadiazol-3-yl)ethyl)-
CID 20249944
3-(3-Methyl-[1,2,4]oxadiazol-5-ylmethyl)-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide
CID 44128466
2-amino-9-[2-[7-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-4,10-bis(2-methylpropanoyl)-1,4,7,10-tetrazacyclododec-1-yl]-2-oxoethyl]-1H-purin-6-one
CID 162647638
N-[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethyl]-2-(2-amino-6-oxo-1H-purin-9-yl)acetamide
CID 162655961
2-amino-9-[2-[7-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-1,4,7,10-tetrazacyclododec-1-yl]-2-oxoethyl]-1H-purin-6-one
CID 162657093
N,N-bis[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 162657155
2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]ethyl]acetamide
CID 162669656
N-[2-[acetyl-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethyl]amino]ethyl]-2-(2-amino-6-oxo-1H-purin-9-yl)acetamide
CID 162676444
N,N-bis[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethyl]propanamide
CID 162676446
7-[(3-Butyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 36682222

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine?
The IUPAC name of 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine (CID 142421885) is 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine.
What is the SMILES notation for 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine?
The canonical SMILES for 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine is CC1CCNC1.Cn1cnc2ncn(Cc3ncno3)c(=O)c21.
What is the InChIKey of 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine?
The InChIKey is DNQUHSWUMSQLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O2.C5H11N/c1-14-4-11-8-7(14)9(16)15(5-12-8)2-6-10-3-13-17-6;1-5-2-3-6-4-5/h3-5H,2H2,1H3;5-6H,2-4H2,1H3.
What are the key properties of 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine?
7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine has a molecular weight of 317.35 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine is sourced from PubChem (CID 142421885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).