6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine

C13H14N6O — CID 46214144

IUPAC6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine
SMILESCCOc1cc(-c2ccnc(N)n2)cc2[nH]nc(N)c12
InChIInChI=1S/C13H14N6O/c1-2-20-10-6-7(8-3-4-16-13(15)17-8)5-9-11(10)12(14)19-18-9/h3-6H,2H2,1H3,(H3,14,18,19)(H2,15,16,17)
InChIKeyMOXWANRMXNRFGW-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.58
Rot. Bonds3

About 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine

6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine (PubChem CID 46214144) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine
PubChem CID46214144
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine
SMILESCCOc1cc(-c2ccnc(N)n2)cc2[nH]nc(N)c12
InChIInChI=1S/C13H14N6O/c1-2-20-10-6-7(8-3-4-16-13(15)17-8)5-9-11(10)12(14)19-18-9/h3-6H,2H2,1H3,(H3,14,18,19)(H2,15,16,17)
InChIKeyMOXWANRMXNRFGW-UHFFFAOYSA-N
XLogP1.58
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine (CID 46214144) is 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine is CCOc1cc(-c2ccnc(N)n2)cc2[nH]nc(N)c12.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine?
The InChIKey is MOXWANRMXNRFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-2-20-10-6-7(8-3-4-16-13(15)17-8)5-9-11(10)12(14)19-18-9/h3-6H,2H2,1H3,(H3,14,18,19)(H2,15,16,17).
What are the key properties of 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine?
6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine has a molecular weight of 270.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)-4-ethoxy-1H-indazol-3-amine is sourced from PubChem (CID 46214144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).