6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine

C10H8BrN5OS — CID 3025944

IUPAC6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1
InChIInChI=1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16)
InChIKeyJUJPKFNFCWJBCX-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.34
Rot. Bonds3

About 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine

6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine (PubChem CID 3025944) has the molecular formula C10H8BrN5OS and a molecular weight of 326.18 g/mol. Its IUPAC name is 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine
PubChem CID3025944
Molecular FormulaC10H8BrN5OS
Molecular Weight326.18 g/mol
Exact Mass324.96
IUPAC Name6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1
InChIInChI=1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16)
InChIKeyJUJPKFNFCWJBCX-UHFFFAOYSA-N
XLogP2.34
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine (CID 3025944) is 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine is Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1.
What is the InChIKey of 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine?
The InChIKey is JUJPKFNFCWJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16).
What are the key properties of 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine?
6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine has a molecular weight of 326.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 3025944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).