6-ethoxy-9-methyl-2,3-dihydropurin-2-amine

C8H13N5O — CID 90300226

IUPAC6-ethoxy-9-methyl-2,3-dihydropurin-2-amine
SMILESCCOC1=NC(N)Nc2c1ncn2C
InChIInChI=1S/C8H13N5O/c1-3-14-7-5-6(11-8(9)12-7)13(2)4-10-5/h4,8,11H,3,9H2,1-2H3
InChIKeyHGEQBGZBEDHILY-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.13
Rot. Bonds1

About 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine

6-ethoxy-9-methyl-2,3-dihydropurin-2-amine (PubChem CID 90300226) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine.

Molecular Properties

Compound Name6-ethoxy-9-methyl-2,3-dihydropurin-2-amine
PubChem CID90300226
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name6-ethoxy-9-methyl-2,3-dihydropurin-2-amine
SMILESCCOC1=NC(N)Nc2c1ncn2C
InChIInChI=1S/C8H13N5O/c1-3-14-7-5-6(11-8(9)12-7)13(2)4-10-5/h4,8,11H,3,9H2,1-2H3
InChIKeyHGEQBGZBEDHILY-UHFFFAOYSA-N
XLogP-0.13
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine?
The IUPAC name of 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine (CID 90300226) is 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine.
What is the SMILES notation for 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine?
The canonical SMILES for 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine is CCOC1=NC(N)Nc2c1ncn2C.
What is the InChIKey of 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine?
The InChIKey is HGEQBGZBEDHILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-3-14-7-5-6(11-8(9)12-7)13(2)4-10-5/h4,8,11H,3,9H2,1-2H3.
What are the key properties of 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine?
6-ethoxy-9-methyl-2,3-dihydropurin-2-amine has a molecular weight of 195.23 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-9-methyl-2,3-dihydropurin-2-amine is sourced from PubChem (CID 90300226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).