6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine

C11H11ClN6S — CID 104623268

IUPAC6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCC(Nc1nc(N)nc2nc[nH]c12)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN6S/c1-5(6-2-3-7(12)19-6)16-10-8-9(15-4-14-8)17-11(13)18-10/h2-5H,1H3,(H4,13,14,15,16,17,18)
InChIKeyMBUFENLJJFUWBH-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.82
Rot. Bonds3

About 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine

6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 104623268) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID104623268
Molecular FormulaC11H11ClN6S
Molecular Weight294.77 g/mol
Exact Mass294.05
IUPAC Name6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCC(Nc1nc(N)nc2nc[nH]c12)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN6S/c1-5(6-2-3-7(12)19-6)16-10-8-9(15-4-14-8)17-11(13)18-10/h2-5H,1H3,(H4,13,14,15,16,17,18)
InChIKeyMBUFENLJJFUWBH-UHFFFAOYSA-N
XLogP2.82
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine
CID 104697586
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114784241
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623341
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623322
3-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-chloro-2H-isoquinolin-1-one
CID 123377877
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
4-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974800

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine (CID 104623268) is 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine is CC(Nc1nc(N)nc2nc[nH]c12)c1ccc(Cl)s1.
What is the InChIKey of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is MBUFENLJJFUWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c1-5(6-2-3-7(12)19-6)16-10-8-9(15-4-14-8)17-11(13)18-10/h2-5H,1H3,(H4,13,14,15,16,17,18).
What are the key properties of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine?
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 294.77 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 104623268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).