2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one

C14H16N6O4 — CID 162058248

IUPAC2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one
SMILESCn1c(=O)n(CCO)c2nc(N)nc(NCC(=O)c3ccco3)c21
InChIInChI=1S/C14H16N6O4/c1-19-10-11(16-7-8(22)9-3-2-6-24-9)17-13(15)18-12(10)20(4-5-21)14(19)23/h2-3,6,21H,4-5,7H2,1H3,(H3,15,16,17,18)
InChIKeyKYFBPUAHNRQUEM-UHFFFAOYSA-N
MW332.32 g/mol
LogP-0.41
Rot. Bonds6

About 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one

2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one (PubChem CID 162058248) has the molecular formula C14H16N6O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one.

Molecular Properties

Compound Name2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one
PubChem CID162058248
Molecular FormulaC14H16N6O4
Molecular Weight332.32 g/mol
Exact Mass332.12
IUPAC Name2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one
SMILESCn1c(=O)n(CCO)c2nc(N)nc(NCC(=O)c3ccco3)c21
InChIInChI=1S/C14H16N6O4/c1-19-10-11(16-7-8(22)9-3-2-6-24-9)17-13(15)18-12(10)20(4-5-21)14(19)23/h2-3,6,21H,4-5,7H2,1H3,(H3,15,16,17,18)
InChIKeyKYFBPUAHNRQUEM-UHFFFAOYSA-N
XLogP-0.41
TPSA141.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one with MolForge

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Related Compounds

N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide
CID 66828314
2-amino-7-(2,2-difluorobutyl)-6-hydrazinyl-9-(2-hydroxyethyl)purin-8-one
CID 162564163
5-amino-8-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56944635
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide
CID 91947970
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381
1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589590
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
3-[2-amino-9-[(3,4-dimethoxyphenyl)methyl]-7-methyl-8-oxopurin-6-yl]furan-2-carbohydrazide
CID 174700259
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 55237816

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one?
The IUPAC name of 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one (CID 162058248) is 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one.
What is the SMILES notation for 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one?
The canonical SMILES for 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one is Cn1c(=O)n(CCO)c2nc(N)nc(NCC(=O)c3ccco3)c21.
What is the InChIKey of 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one?
The InChIKey is KYFBPUAHNRQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O4/c1-19-10-11(16-7-8(22)9-3-2-6-24-9)17-13(15)18-12(10)20(4-5-21)14(19)23/h2-3,6,21H,4-5,7H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one?
2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one has a molecular weight of 332.32 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one is sourced from PubChem (CID 162058248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).