6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine

C8H9N7S — CID 4040642

IUPAC6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine
SMILESNc1nc(SC2=NCCN2)c2[nH]cnc2n1
InChIInChI=1S/C8H9N7S/c9-7-14-5-4(12-3-13-5)6(15-7)16-8-10-1-2-11-8/h3H,1-2H2,(H,10,11)(H3,9,12,13,14,15)
InChIKeySCJUKCMZUDPUPV-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.01
Rot. Bonds1

About 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine

6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine (PubChem CID 4040642) has the molecular formula C8H9N7S and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine
PubChem CID4040642
Molecular FormulaC8H9N7S
Molecular Weight235.28 g/mol
Exact Mass235.06
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine
SMILESNc1nc(SC2=NCCN2)c2[nH]cnc2n1
InChIInChI=1S/C8H9N7S/c9-7-14-5-4(12-3-13-5)6(15-7)16-8-10-1-2-11-8/h3H,1-2H2,(H,10,11)(H3,9,12,13,14,15)
InChIKeySCJUKCMZUDPUPV-UHFFFAOYSA-N
XLogP-0.01
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine
CID 114788402
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 102927037
4-amino-2-[(2-amino-7H-purin-6-yl)sulfanyl]-1H-pyrimidin-6-one
CID 136981709
6-(1,3-benzothiazol-2-ylsulfanyl)-7H-purin-2-amine
CID 114788221
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
6-[(5-nitro-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 3977545
3-[(2-amino-7H-purin-6-yl)sulfanyl]propane-1,2-diol
CID 114788446
6-[(2-nitrocyclohexyl)methylsulfanyl]-7H-purin-2-amine
CID 16677987
6-(1H-imidazol-2-yl)-7H-purin-2-amine
CID 69250570
(2-amino-7H-purin-6-yl)methanol
CID 11593490
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
[4-[(2-amino-7H-purin-6-yl)sulfanyldiazenyl]phenyl]arsonic acid
CID 3302537

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine (CID 4040642) is 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine is Nc1nc(SC2=NCCN2)c2[nH]cnc2n1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine?
The InChIKey is SCJUKCMZUDPUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7S/c9-7-14-5-4(12-3-13-5)6(15-7)16-8-10-1-2-11-8/h3H,1-2H2,(H,10,11)(H3,9,12,13,14,15).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine?
6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine has a molecular weight of 235.28 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine is sourced from PubChem (CID 4040642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).