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

C10H11N7S — CID 164513222

IUPAC9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine
SMILESCc1nc(Cn2cnc3c(N)nc(N)nc32)cs1
InChIInChI=1S/C10H11N7S/c1-5-14-6(3-18-5)2-17-4-13-7-8(11)15-10(12)16-9(7)17/h3-4H,2H2,1H3,(H4,11,12,15,16)
InChIKeyINTFUQJSFGYBOV-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.80
Rot. Bonds2

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

9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine (PubChem CID 164513222) has the molecular formula C10H11N7S and a molecular weight of 261.31 g/mol. Its IUPAC name is 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine
PubChem CID164513222
Molecular FormulaC10H11N7S
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC Name9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine
SMILESCc1nc(Cn2cnc3c(N)nc(N)nc32)cs1
InChIInChI=1S/C10H11N7S/c1-5-14-6(3-18-5)2-17-4-13-7-8(11)15-10(12)16-9(7)17/h3-4H,2H2,1H3,(H4,11,12,15,16)
InChIKeyINTFUQJSFGYBOV-UHFFFAOYSA-N
XLogP0.80
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine?
The IUPAC name of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine (CID 164513222) is 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine.
What is the SMILES notation for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine?
The canonical SMILES for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine is Cc1nc(Cn2cnc3c(N)nc(N)nc32)cs1.
What is the InChIKey of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine?
The InChIKey is INTFUQJSFGYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7S/c1-5-14-6(3-18-5)2-17-4-13-7-8(11)15-10(12)16-9(7)17/h3-4H,2H2,1H3,(H4,11,12,15,16).
What are the key properties of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine?
9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine has a molecular weight of 261.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine is sourced from PubChem (CID 164513222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).