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

C11H11ClN6S — CID 115669357

IUPAC6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
SMILESCN(Cc1ccc(Cl)s1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H11ClN6S/c1-18(4-6-2-3-7(12)19-6)10-8-9(15-5-14-8)16-11(13)17-10/h2-3,5H,4H2,1H3,(H3,13,14,15,16,17)
InChIKeyFLIDXJYQHHGUNQ-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.29
Rot. Bonds3

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

6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine (PubChem CID 115669357) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
PubChem CID115669357
Molecular FormulaC11H11ClN6S
Molecular Weight294.77 g/mol
Exact Mass294.05
IUPAC Name6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
SMILESCN(Cc1ccc(Cl)s1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H11ClN6S/c1-18(4-6-2-3-7(12)19-6)10-8-9(15-5-14-8)16-11(13)17-10/h2-3,5H,4H2,1H3,(H3,13,14,15,16,17)
InChIKeyFLIDXJYQHHGUNQ-UHFFFAOYSA-N
XLogP2.29
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623341
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
CID 104623920
6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 134697238
[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 72941332
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
CID 79080525
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623268
6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
CID 114783307

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine (CID 115669357) is 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine is CN(Cc1ccc(Cl)s1)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The InChIKey is FLIDXJYQHHGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c1-18(4-6-2-3-7(12)19-6)10-8-9(15-5-14-8)16-11(13)17-10/h2-3,5H,4H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine has a molecular weight of 294.77 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 115669357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).