6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine

C12H12N6O — CID 46216494

IUPAC6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine
SMILESCOc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C12H12N6O/c1-19-10-5-8(15-12(14)16-10)6-2-3-7-9(4-6)17-18-11(7)13/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16)
InChIKeyQEYGVZZLTIWTEZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.19
Rot. Bonds2

About 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine

6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine (PubChem CID 46216494) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine
PubChem CID46216494
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine
SMILESCOc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C12H12N6O/c1-19-10-5-8(15-12(14)16-10)6-2-3-7-9(4-6)17-18-11(7)13/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16)
InChIKeyQEYGVZZLTIWTEZ-UHFFFAOYSA-N
XLogP1.19
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine (CID 46216494) is 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine is COc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine?
The InChIKey is QEYGVZZLTIWTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-19-10-5-8(15-12(14)16-10)6-2-3-7-9(4-6)17-18-11(7)13/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16).
What are the key properties of 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine?
6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine has a molecular weight of 256.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-methoxypyrimidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 46216494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).