8-(5-methylfuran-3-yl)-7H-purine

C10H8N4O — CID 114821646

IUPAC8-(5-methylfuran-3-yl)-7H-purine
SMILESCc1cc(-c2nc3ncncc3[nH]2)co1
InChIInChI=1S/C10H8N4O/c1-6-2-7(4-15-6)9-13-8-3-11-5-12-10(8)14-9/h2-5H,1H3,(H,11,12,13,14)
InChIKeyLTYJUYZTZCXXKD-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.92
Rot. Bonds1

About 8-(5-methylfuran-3-yl)-7H-purine

8-(5-methylfuran-3-yl)-7H-purine (PubChem CID 114821646) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 8-(5-methylfuran-3-yl)-7H-purine.

Molecular Properties

Compound Name8-(5-methylfuran-3-yl)-7H-purine
PubChem CID114821646
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name8-(5-methylfuran-3-yl)-7H-purine
SMILESCc1cc(-c2nc3ncncc3[nH]2)co1
InChIInChI=1S/C10H8N4O/c1-6-2-7(4-15-6)9-13-8-3-11-5-12-10(8)14-9/h2-5H,1H3,(H,11,12,13,14)
InChIKeyLTYJUYZTZCXXKD-UHFFFAOYSA-N
XLogP1.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(5-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine
CID 114821625
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
8-(5-bromo-3-pyridinyl)-7H-purine
CID 114402746
8-(3,4,5-trimethoxyphenyl)-7H-purine
CID 114402745
2,6-dichloro-4-(7H-purin-8-yl)aniline
CID 114402139
4-(7H-purin-8-yl)pyridin-2-amine
CID 114402124
4-methyl-5-(7H-purin-8-yl)-1,3-thiazole
CID 114402555
4-(7H-purin-8-yl)oxadiazole
CID 154350070
8-thiophen-3-yl-7H-purine
CID 114402602
8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
8-(2,5-dimethylpyrazol-3-yl)-7H-purine
CID 136989215
3-chloro-5-(7H-purin-8-yl)phenol
CID 167797751

Frequently Asked Questions

What is the IUPAC name of 8-(5-methylfuran-3-yl)-7H-purine?
The IUPAC name of 8-(5-methylfuran-3-yl)-7H-purine (CID 114821646) is 8-(5-methylfuran-3-yl)-7H-purine.
What is the SMILES notation for 8-(5-methylfuran-3-yl)-7H-purine?
The canonical SMILES for 8-(5-methylfuran-3-yl)-7H-purine is Cc1cc(-c2nc3ncncc3[nH]2)co1.
What is the InChIKey of 8-(5-methylfuran-3-yl)-7H-purine?
The InChIKey is LTYJUYZTZCXXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-6-2-7(4-15-6)9-13-8-3-11-5-12-10(8)14-9/h2-5H,1H3,(H,11,12,13,14).
What are the key properties of 8-(5-methylfuran-3-yl)-7H-purine?
8-(5-methylfuran-3-yl)-7H-purine has a molecular weight of 200.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylfuran-3-yl)-7H-purine is sourced from PubChem (CID 114821646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).