6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C16H19N5O3 — CID 6457777

IUPAC6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O
InChIInChI=1S/C16H19N5O3/c1-3-6-21-14(22)12-13(18(2)16(21)23)17-15-19(7-8-20(12)15)10-11-5-4-9-24-11/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyUUXSZRIXKRIIJJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.92
Rot. Bonds4

About 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 6457777) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID6457777
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O
InChIInChI=1S/C16H19N5O3/c1-3-6-21-14(22)12-13(18(2)16(21)23)17-15-19(7-8-20(12)15)10-11-5-4-9-24-11/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyUUXSZRIXKRIIJJ-UHFFFAOYSA-N
XLogP0.92
TPSA78.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 6457777) is 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is CCCn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O.
What is the InChIKey of 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is UUXSZRIXKRIIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-3-6-21-14(22)12-13(18(2)16(21)23)17-15-19(7-8-20(12)15)10-11-5-4-9-24-11/h4-5,9H,3,6-8,10H2,1-2H3.
What are the key properties of 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 329.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6457777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).