N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide

C8H11N5O2 — CID 123968700

IUPACN-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide
SMILESCCC(=O)NC1=C2NC=NC2NC(=O)N1
InChIInChI=1S/C8H11N5O2/c1-2-4(14)11-7-5-6(10-3-9-5)12-8(15)13-7/h3,6H,2H2,1H3,(H,9,10)(H,11,14)(H2,12,13,15)
InChIKeyHDKUBPTVDTYOCI-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.05
Rot. Bonds2

About N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide

N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide (PubChem CID 123968700) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide
PubChem CID123968700
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC NameN-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide
SMILESCCC(=O)NC1=C2NC=NC2NC(=O)N1
InChIInChI=1S/C8H11N5O2/c1-2-4(14)11-7-5-6(10-3-9-5)12-8(15)13-7/h3,6H,2H2,1H3,(H,9,10)(H,11,14)(H2,12,13,15)
InChIKeyHDKUBPTVDTYOCI-UHFFFAOYSA-N
XLogP-1.05
TPSA94.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-Oxobutyl)-1,7-dihydropurine-6,8-dione
CID 135899066
6-Methyl-1,3,4,7-tetrahydropurin-2-one
CID 56613505
1,9-Dimethyl-6-acetylimino-8-oxopurine
CID 14713812
N-(1-methyl-2-oxo-7H-purin-6-yl)acetamide
CID 21791445
6-(Methylamino)-1,3,4,7-tetrahydropurin-2-one
CID 56628873
6-Hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one
CID 57080956
3,6-dimethyl-4,7-dihydro-1H-purin-2-one
CID 90963105
1,3,6-Trimethyl-4,7-dihydropurin-2-one
CID 123182720
6-(Dimethylamino)-1,3,4,7-tetrahydropurin-2-one
CID 123734877
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 136436513
N-(2-acetamidoethyl)-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanamide
CID 136445991
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-ethylpropanamide
CID 136477481

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide?
The IUPAC name of N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide (CID 123968700) is N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide.
What is the SMILES notation for N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide?
The canonical SMILES for N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide is CCC(=O)NC1=C2NC=NC2NC(=O)N1.
What is the InChIKey of N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide?
The InChIKey is HDKUBPTVDTYOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-2-4(14)11-7-5-6(10-3-9-5)12-8(15)13-7/h3,6H,2H2,1H3,(H,9,10)(H,11,14)(H2,12,13,15).
What are the key properties of N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide?
N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide has a molecular weight of 209.21 g/mol, XLogP of -1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3,4,7-tetrahydropurin-6-yl)propanamide is sourced from PubChem (CID 123968700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).