7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

C15H18N4O5 — CID 31297735

IUPAC7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2C[C@H](O)COCc2ccco2)n(C)c1=O
InChIInChI=1S/C15H18N4O5/c1-17-13-12(14(21)18(2)15(17)22)19(9-16-13)6-10(20)7-23-8-11-4-3-5-24-11/h3-5,9-10,20H,6-8H2,1-2H3/t10-/m0/s1
InChIKeyVBHBDCWMMBSZSV-JTQLQIEISA-N
MW334.33 g/mol
LogP-0.40
Rot. Bonds6

About 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 31297735) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
PubChem CID31297735
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2C[C@H](O)COCc2ccco2)n(C)c1=O
InChIInChI=1S/C15H18N4O5/c1-17-13-12(14(21)18(2)15(17)22)19(9-16-13)6-10(20)7-23-8-11-4-3-5-24-11/h3-5,9-10,20H,6-8H2,1-2H3/t10-/m0/s1
InChIKeyVBHBDCWMMBSZSV-JTQLQIEISA-N
XLogP-0.40
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione
CID 6924084
7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethylpurine-2,6-dione
CID 51312655
1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 23992237
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
CID 51981456
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 25384233
3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 31077133
7-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 134024214
N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]formamide
CID 602117
1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109411210
7-(3-chloro-3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 70482858
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3,7-trimethylpurine-2,6-dione
CID 69348830
7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 3435586

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione (CID 31297735) is 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2C[C@H](O)COCc2ccco2)n(C)c1=O.
What is the InChIKey of 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is VBHBDCWMMBSZSV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O5/c1-17-13-12(14(21)18(2)15(17)22)19(9-16-13)6-10(20)7-23-8-11-4-3-5-24-11/h3-5,9-10,20H,6-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione?
7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 334.33 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 31297735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).