6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine

C11H15N5O — CID 106207558

IUPAC6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(OCCC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N5O/c1-12-11-15-9-8(13-6-14-9)10(16-11)17-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15,16)
InChIKeyRBJGJINBZZYMIU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.57
Rot. Bonds5

About 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine

6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine (PubChem CID 106207558) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine
PubChem CID106207558
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(OCCC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N5O/c1-12-11-15-9-8(13-6-14-9)10(16-11)17-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15,16)
InChIKeyRBJGJINBZZYMIU-UHFFFAOYSA-N
XLogP1.57
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine (CID 106207558) is 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine is CNc1nc(OCCC2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine?
The InChIKey is RBJGJINBZZYMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-12-11-15-9-8(13-6-14-9)10(16-11)17-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine?
6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 106207558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).