1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione

C19H18N4O2 — CID 10359522

IUPAC1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione
SMILESCCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
InChIKeyLDLBAAURBBVHGB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.27
Rot. Bonds4

About 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione

1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione (PubChem CID 10359522) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione
PubChem CID10359522
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione
SMILESCCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
InChIKeyLDLBAAURBBVHGB-UHFFFAOYSA-N
XLogP2.27
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Zolpidem
CID 5732
Emapunil
CID 6433109
Saripidem
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HC-030031
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Etc-159
CID 86280523
7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione
CID 978607
KF 17625
CID 126487
KF 18280
CID 3071941
8-(4-Pyridyl)theophylline
CID 121006
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
CID 5374479
1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo(2,1-f)purine-2,4-dione
CID 11209919
3-Benzyl-7-ethyl-3,7-dihydro-1H-purine-2,6-dione
CID 3681703

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione?
The IUPAC name of 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione (CID 10359522) is 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione?
The canonical SMILES for 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione is CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione?
The InChIKey is LDLBAAURBBVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3.
What are the key properties of 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione?
1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione is sourced from PubChem (CID 10359522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).