6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine

C13H15N7OS — CID 166565302

IUPAC6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine
SMILESCOc1ccnc(NCCSc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C13H15N7OS/c1-21-8-2-3-15-9(6-8)16-4-5-22-12-10-11(18-7-17-10)19-13(14)20-12/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H3,14,17,18,19,20)
InChIKeyXLPHFZIIBUHWHJ-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.54
Rot. Bonds6

About 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine

6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine (PubChem CID 166565302) has the molecular formula C13H15N7OS and a molecular weight of 317.38 g/mol. Its IUPAC name is 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine
PubChem CID166565302
Molecular FormulaC13H15N7OS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine
SMILESCOc1ccnc(NCCSc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C13H15N7OS/c1-21-8-2-3-15-9(6-8)16-4-5-22-12-10-11(18-7-17-10)19-13(14)20-12/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H3,14,17,18,19,20)
InChIKeyXLPHFZIIBUHWHJ-UHFFFAOYSA-N
XLogP1.54
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-[(4-methoxypyrimidin-2-yl)amino]ethylsulfanyl]-7H-purin-2-amine
CID 167288010
6-[2-[(2-amino-7H-purin-6-yl)sulfanyl]ethylamino]-4-methoxypyridin-3-ol
CID 167288270
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-methoxy-2-pyridinyl)-2-methylpropanamide
CID 167288941
N-[2-[(2-amino-7H-purin-6-yl)sulfanyl]ethyl]-4-oxo-1H-pyridine-2-carboxamide
CID 166565225
N-[2-[(2-amino-7H-purin-6-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-amine
CID 167288012
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
6-[[1-(3,4-dimethoxyanilino)cyclopropyl]methylsulfanyl]-7H-purin-2-amine
CID 166565162
6-[2-(3,4-dimethoxyanilino)pentylsulfanyl]-7H-purin-2-amine
CID 166565269
6-[(2S)-2-(3,4-dimethoxyanilino)pentyl]sulfanyl-7H-purin-2-amine
CID 166565155
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
3-[(2-amino-7H-purin-6-yl)sulfanyl]-2-(3,4-dimethoxyanilino)propanoic acid
CID 166565164
6-(2-methoxy-4-pyridinyl)-7H-purin-2-amine
CID 114052406

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine?
The IUPAC name of 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine (CID 166565302) is 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine.
What is the SMILES notation for 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine?
The canonical SMILES for 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine is COc1ccnc(NCCSc2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine?
The InChIKey is XLPHFZIIBUHWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7OS/c1-21-8-2-3-15-9(6-8)16-4-5-22-12-10-11(18-7-17-10)19-13(14)20-12/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H3,14,17,18,19,20).
What are the key properties of 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine?
6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine has a molecular weight of 317.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-methoxy-2-pyridinyl)amino]ethylsulfanyl]-7H-purin-2-amine is sourced from PubChem (CID 166565302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).