ethane;9-methylpurin-2-amine

C8H13N5 — CID 143911812

IUPACethane;9-methylpurin-2-amine
SMILESCC.Cn1cnc2cnc(N)nc21
InChIInChI=1S/C6H7N5.C2H6/c1-11-3-9-4-2-8-6(7)10-5(4)11;1-2/h2-3H,1H3,(H2,7,8,10);1-2H3
InChIKeyNLPPBGISNVAVJZ-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.97
Rot. Bonds

About ethane;9-methylpurin-2-amine

ethane;9-methylpurin-2-amine (PubChem CID 143911812) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is ethane;9-methylpurin-2-amine.

Molecular Properties

Compound Nameethane;9-methylpurin-2-amine
PubChem CID143911812
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Nameethane;9-methylpurin-2-amine
SMILESCC.Cn1cnc2cnc(N)nc21
InChIInChI=1S/C6H7N5.C2H6/c1-11-3-9-4-2-8-6(7)10-5(4)11;1-2/h2-3H,1H3,(H2,7,8,10);1-2H3
InChIKeyNLPPBGISNVAVJZ-UHFFFAOYSA-N
XLogP0.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methylpurin-2-amine?
The IUPAC name of ethane;9-methylpurin-2-amine (CID 143911812) is ethane;9-methylpurin-2-amine.
What is the SMILES notation for ethane;9-methylpurin-2-amine?
The canonical SMILES for ethane;9-methylpurin-2-amine is CC.Cn1cnc2cnc(N)nc21.
What is the InChIKey of ethane;9-methylpurin-2-amine?
The InChIKey is NLPPBGISNVAVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5.C2H6/c1-11-3-9-4-2-8-6(7)10-5(4)11;1-2/h2-3H,1H3,(H2,7,8,10);1-2H3.
What are the key properties of ethane;9-methylpurin-2-amine?
ethane;9-methylpurin-2-amine has a molecular weight of 179.23 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methylpurin-2-amine is sourced from PubChem (CID 143911812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).