2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione

C15H21N5O3 — CID 6492188

IUPAC2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(C)cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc12
InChIInChI=1S/C15H21N5O3/c1-4-6-18-10(2)9-20-11-12(16-14(18)20)17(3)15(23)19(13(11)22)7-5-8-21/h9,21H,4-8H2,1-3H3
InChIKeyWASKYELUMDQZSG-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.25
Rot. Bonds5

About 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione

2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 6492188) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
PubChem CID6492188
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(C)cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc12
InChIInChI=1S/C15H21N5O3/c1-4-6-18-10(2)9-20-11-12(16-14(18)20)17(3)15(23)19(13(11)22)7-5-8-21/h9,21H,4-8H2,1-3H3
InChIKeyWASKYELUMDQZSG-UHFFFAOYSA-N
XLogP0.25
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethyl-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3162624
2-(6-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetamide
CID 16626865
6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 709796
6-hexyl-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610172
benzyl 2-[6-(3-hydroxypropyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 42536415
6-hexyl-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 16610290
6-(2-fluorophenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 6463028
6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 6497182
6-ethyl-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 16615714
6-butan-2-yl-2-butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16805011
4,7-dimethyl-2,6-bis(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 6485051
6-[3-(dimethylamino)propyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4969814

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione (CID 6492188) is 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione is CCCn1c(C)cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc12.
What is the InChIKey of 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is WASKYELUMDQZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-4-6-18-10(2)9-20-11-12(16-14(18)20)17(3)15(23)19(13(11)22)7-5-8-21/h9,21H,4-8H2,1-3H3.
What are the key properties of 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione?
2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 319.37 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6492188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).