8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine

C10H10N6S — CID 114607939

IUPAC8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine
SMILESNc1ncnc2nc(C(N)c3cccs3)[nH]c12
InChIInChI=1S/C10H10N6S/c11-6(5-2-1-3-17-5)9-15-7-8(12)13-4-14-10(7)16-9/h1-4,6H,11H2,(H3,12,13,14,15,16)
InChIKeyDHCLAXADCZLEEZ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.04
Rot. Bonds2

About 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine

8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine (PubChem CID 114607939) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine
PubChem CID114607939
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine
SMILESNc1ncnc2nc(C(N)c3cccs3)[nH]c12
InChIInChI=1S/C10H10N6S/c11-6(5-2-1-3-17-5)9-15-7-8(12)13-4-14-10(7)16-9/h1-4,6H,11H2,(H3,12,13,14,15,16)
InChIKeyDHCLAXADCZLEEZ-UHFFFAOYSA-N
XLogP1.04
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-aminopropyl)-7H-purin-6-amine
CID 114607892
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303
8-(2-amino-1-methoxyethyl)-7H-purin-6-amine
CID 106108785
8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine
CID 114607908
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
CID 115284668
2-amino-8-[bromo(thiophen-2-yl)methyl]-1,7-dihydropurin-6-one
CID 136658013
8-quinolin-2-yl-7H-purin-6-amine
CID 114608266
3-[(R)-amino(thiophen-2-yl)methyl]pyridin-2-amine;hydrochloride
CID 171230932
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421
(4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
CID 82008010
8-methylsulfanyl-7H-purin-6-amine
CID 935524

Frequently Asked Questions

What is the IUPAC name of 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine?
The IUPAC name of 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine (CID 114607939) is 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine is Nc1ncnc2nc(C(N)c3cccs3)[nH]c12.
What is the InChIKey of 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine?
The InChIKey is DHCLAXADCZLEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c11-6(5-2-1-3-17-5)9-15-7-8(12)13-4-14-10(7)16-9/h1-4,6H,11H2,(H3,12,13,14,15,16).
What are the key properties of 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine?
8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine has a molecular weight of 246.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 114607939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).