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

C11H11ClN6S — CID 104623341

IUPAC6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESNc1nc(NCCc2ccc(Cl)s2)c2[nH]cnc2n1
InChIInChI=1S/C11H11ClN6S/c12-7-2-1-6(19-7)3-4-14-9-8-10(16-5-15-8)18-11(13)17-9/h1-2,5H,3-4H2,(H4,13,14,15,16,17,18)
InChIKeyRRASTVJYTKLIRT-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.30
Rot. Bonds4

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

6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 104623341) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID104623341
Molecular FormulaC11H11ClN6S
Molecular Weight294.77 g/mol
Exact Mass294.05
IUPAC Name6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESNc1nc(NCCc2ccc(Cl)s2)c2[nH]cnc2n1
InChIInChI=1S/C11H11ClN6S/c12-7-2-1-6(19-7)3-4-14-9-8-10(16-5-15-8)18-11(13)17-9/h1-2,5H,3-4H2,(H4,13,14,15,16,17,18)
InChIKeyRRASTVJYTKLIRT-UHFFFAOYSA-N
XLogP2.30
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908662
6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine (CID 104623341) is 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine is Nc1nc(NCCc2ccc(Cl)s2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is RRASTVJYTKLIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c12-7-2-1-6(19-7)3-4-14-9-8-10(16-5-15-8)18-11(13)17-9/h1-2,5H,3-4H2,(H4,13,14,15,16,17,18).
What are the key properties of 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine?
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 294.77 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 104623341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).