6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine

C10H8BrN5O2 — CID 54242948

IUPAC6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2ccc(Br)o2)c2[nH]cnc2n1
InChIInChI=1S/C10H8BrN5O2/c11-6-2-1-5(18-6)3-17-9-7-8(14-4-13-7)15-10(12)16-9/h1-2,4H,3H2,(H3,12,13,14,15,16)
InChIKeyQRGXGNRKJCOFSM-UHFFFAOYSA-N
MW310.11 g/mol
LogP1.87
Rot. Bonds3

About 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine

6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine (PubChem CID 54242948) has the molecular formula C10H8BrN5O2 and a molecular weight of 310.11 g/mol. Its IUPAC name is 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine
PubChem CID54242948
Molecular FormulaC10H8BrN5O2
Molecular Weight310.11 g/mol
Exact Mass308.99
IUPAC Name6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2ccc(Br)o2)c2[nH]cnc2n1
InChIInChI=1S/C10H8BrN5O2/c11-6-2-1-5(18-6)3-17-9-7-8(14-4-13-7)15-10(12)16-9/h1-2,4H,3H2,(H3,12,13,14,15,16)
InChIKeyQRGXGNRKJCOFSM-UHFFFAOYSA-N
XLogP1.87
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(furan-2-ylmethoxy)-7H-purin-2-amine
CID 10585590
6-(furan-2-ylmethoxy)-7H-purine
CID 18333633
5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid
CID 54295938
2-(furan-2-ylmethoxy)-7H-purine
CID 54319060
5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile
CID 54494792
CID 87895009
CID 87895009
2-chloro-6-(furan-2-ylmethoxy)-7H-purine
CID 104786870
N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine
CID 118317193
6-[(5-methylfuran-2-yl)methoxy]-7H-purine
CID 123562791
6-(1-benzofuran-2-ylmethoxy)-7H-purin-1-ium-2-amine
CID 123732413
6-(furan-2-ylmethoxy)-7H-purin-1-ium-2-amine
CID 123836880
N-[3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine
CID 129314976

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine (CID 54242948) is 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine is Nc1nc(OCc2ccc(Br)o2)c2[nH]cnc2n1.
What is the InChIKey of 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine?
The InChIKey is QRGXGNRKJCOFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O2/c11-6-2-1-5(18-6)3-17-9-7-8(14-4-13-7)15-10(12)16-9/h1-2,4H,3H2,(H3,12,13,14,15,16).
What are the key properties of 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine?
6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine has a molecular weight of 310.11 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 54242948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).