methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate

C13H11N5O2 — CID 66285327

IUPACmethyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C13H11N5O2/c1-20-13(19)12-15-5-4-11(17-12)18-10-6-9(14)3-2-8(10)7-16-18/h2-7H,14H2,1H3
InChIKeyIZGZUJSGDWPXMV-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.18
Rot. Bonds2

About methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate

methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate (PubChem CID 66285327) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate
PubChem CID66285327
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Namemethyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C13H11N5O2/c1-20-13(19)12-15-5-4-11(17-12)18-10-6-9(14)3-2-8(10)7-16-18/h2-7H,14H2,1H3
InChIKeyIZGZUJSGDWPXMV-UHFFFAOYSA-N
XLogP1.18
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate (CID 66285327) is methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate is COC(=O)c1nccc(-n2ncc3ccc(N)cc32)n1.
What is the InChIKey of methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate?
The InChIKey is IZGZUJSGDWPXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-20-13(19)12-15-5-4-11(17-12)18-10-6-9(14)3-2-8(10)7-16-18/h2-7H,14H2,1H3.
What are the key properties of methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate?
methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate is sourced from PubChem (CID 66285327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).