9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine

C14H13N7OS — CID 164513209

IUPAC9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine
SMILESCc1ccc(-c2nc(Cn3cnc4c(N)nc(N)nc43)cs2)o1
InChIInChI=1S/C14H13N7OS/c1-7-2-3-9(22-7)13-18-8(5-23-13)4-21-6-17-10-11(15)19-14(16)20-12(10)21/h2-3,5-6H,4H2,1H3,(H4,15,16,19,20)
InChIKeyRYLGZXYODNRSDR-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.06
Rot. Bonds3

About 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine

9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine (PubChem CID 164513209) has the molecular formula C14H13N7OS and a molecular weight of 327.37 g/mol. Its IUPAC name is 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine
PubChem CID164513209
Molecular FormulaC14H13N7OS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC Name9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine
SMILESCc1ccc(-c2nc(Cn3cnc4c(N)nc(N)nc43)cs2)o1
InChIInChI=1S/C14H13N7OS/c1-7-2-3-9(22-7)13-18-8(5-23-13)4-21-6-17-10-11(15)19-14(16)20-12(10)21/h2-3,5-6H,4H2,1H3,(H4,15,16,19,20)
InChIKeyRYLGZXYODNRSDR-UHFFFAOYSA-N
XLogP2.06
TPSA121.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine?
The IUPAC name of 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine (CID 164513209) is 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine.
What is the SMILES notation for 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine?
The canonical SMILES for 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine is Cc1ccc(-c2nc(Cn3cnc4c(N)nc(N)nc43)cs2)o1.
What is the InChIKey of 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine?
The InChIKey is RYLGZXYODNRSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7OS/c1-7-2-3-9(22-7)13-18-8(5-23-13)4-21-6-17-10-11(15)19-14(16)20-12(10)21/h2-3,5-6H,4H2,1H3,(H4,15,16,19,20).
What are the key properties of 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine?
9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine has a molecular weight of 327.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-diamine is sourced from PubChem (CID 164513209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).