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

C17H23N5O2 — CID 6497182

IUPAC6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O
InChIInChI=1S/C17H23N5O2/c1-4-9-20-15(23)13-14(19(3)17(20)24)18-16-21(13)10-11(2)22(16)12-7-5-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyVVPDRSZYTYNDNB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.98
Rot. Bonds3

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

6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 6497182) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
PubChem CID6497182
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O
InChIInChI=1S/C17H23N5O2/c1-4-9-20-15(23)13-14(19(3)17(20)24)18-16-21(13)10-11(2)22(16)12-7-5-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyVVPDRSZYTYNDNB-UHFFFAOYSA-N
XLogP1.98
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 4885633
6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 6463293
6-cyclohexyl-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione
CID 6492610
6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione
CID 6497196
2-(3-hydroxypropyl)-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
CID 6492188
4,7-dimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 7586071
4,7-dimethyl-2-prop-2-enyl-6-[(1S,5R)-3,3,5-trimethylcyclohexyl]purino[7,8-a]imidazole-1,3-dione
CID 7520614
6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 3163018
6-ethyl-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 16615714
6-ethyl-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3162624
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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione (CID 6497182) is 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione is CCCn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O.
What is the InChIKey of 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is VVPDRSZYTYNDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-9-20-15(23)13-14(19(3)17(20)24)18-16-21(13)10-11(2)22(16)12-7-5-6-8-12/h10,12H,4-9H2,1-3H3.
What are the key properties of 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 329.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6497182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).