3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione

C16H24N4O3 — CID 145188785

IUPAC3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione
SMILESCCCn1cnc2c1c(=O)n(CCC1(C)CCOC1)c(=O)n2C
InChIInChI=1S/C16H24N4O3/c1-4-7-19-11-17-13-12(19)14(21)20(15(22)18(13)3)8-5-16(2)6-9-23-10-16/h11H,4-10H2,1-3H3
InChIKeyZYSLIMTUYLKFCB-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.12
Rot. Bonds5

About 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione

3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione (PubChem CID 145188785) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione
PubChem CID145188785
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione
SMILESCCCn1cnc2c1c(=O)n(CCC1(C)CCOC1)c(=O)n2C
InChIInChI=1S/C16H24N4O3/c1-4-7-19-11-17-13-12(19)14(21)20(15(22)18(13)3)8-5-16(2)6-9-23-10-16/h11H,4-10H2,1-3H3
InChIKeyZYSLIMTUYLKFCB-UHFFFAOYSA-N
XLogP1.12
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4R)-4-hydroxypentyl]-3-methyl-7-propylpurine-2,6-dione
CID 54078055
ethane;1-[[5-hydroxy-5-(trifluoromethyl)oxan-2-yl]methyl]-3-methyl-7-propylpurine-2,6-dione
CID 145057929
1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine
CID 70591246
1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 736564
3-methyl-1,7-bis(6-oxoheptyl)purine-2,6-dione
CID 10500610
1,3-dibutyl-7-(3-hydroxypropyl)purine-2,6-dione
CID 57299123
7-but-3-enyl-1-methyl-3-propylpurine-2,6-dione
CID 10378028
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
1-[[3-(2-cyclobutylethyl)oxetan-3-yl]methyl]-3,7-dimethylpurine-2,6-dione
CID 145188786
7-(3-bromobutyl)-1,3-dimethylpurine-2,6-dione
CID 21320137
1,3-dimethyl-7-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)purine-2,6-dione
CID 560178
1,3-dimethyl-7-(oxan-2-ylmethyl)purine-2,6-dione
CID 18775675

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione?
The IUPAC name of 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione (CID 145188785) is 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione.
What is the SMILES notation for 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione?
The canonical SMILES for 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione is CCCn1cnc2c1c(=O)n(CCC1(C)CCOC1)c(=O)n2C.
What is the InChIKey of 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione?
The InChIKey is ZYSLIMTUYLKFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-7-19-11-17-13-12(19)14(21)20(15(22)18(13)3)8-5-16(2)6-9-23-10-16/h11H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione?
3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione has a molecular weight of 320.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione is sourced from PubChem (CID 145188785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).