2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide

C8H9ClN6O — CID 59476525

IUPAC2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide
SMILESCn1cnc2c(Cl)nc(NCC(N)=O)nc21
InChIInChI=1S/C8H9ClN6O/c1-15-3-12-5-6(9)13-8(14-7(5)15)11-2-4(10)16/h3H,2H2,1H3,(H2,10,16)(H,11,13,14)
InChIKeyBHCVSYGSBBEWIY-UHFFFAOYSA-N
MW240.65 g/mol
LogP-0.09
Rot. Bonds3

About 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide

2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide (PubChem CID 59476525) has the molecular formula C8H9ClN6O and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide
PubChem CID59476525
Molecular FormulaC8H9ClN6O
Molecular Weight240.65 g/mol
Exact Mass240.05
IUPAC Name2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide
SMILESCn1cnc2c(Cl)nc(NCC(N)=O)nc21
InChIInChI=1S/C8H9ClN6O/c1-15-3-12-5-6(9)13-8(14-7(5)15)11-2-4(10)16/h3H,2H2,1H3,(H2,10,16)(H,11,13,14)
InChIKeyBHCVSYGSBBEWIY-UHFFFAOYSA-N
XLogP-0.09
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide?
The IUPAC name of 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide (CID 59476525) is 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide?
The canonical SMILES for 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide is Cn1cnc2c(Cl)nc(NCC(N)=O)nc21.
What is the InChIKey of 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide?
The InChIKey is BHCVSYGSBBEWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6O/c1-15-3-12-5-6(9)13-8(14-7(5)15)11-2-4(10)16/h3H,2H2,1H3,(H2,10,16)(H,11,13,14).
What are the key properties of 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide?
2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide has a molecular weight of 240.65 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide is sourced from PubChem (CID 59476525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).