1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine

C13H13N5 — CID 61174887

IUPAC1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine
SMILESCc1cc(C)nc(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C13H13N5/c1-8-5-9(2)17-13(16-8)18-12-6-11(14)4-3-10(12)7-15-18/h3-7H,14H2,1-2H3
InChIKeyLBKSJSQXSWQHFW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.01
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine

1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine (PubChem CID 61174887) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine
PubChem CID61174887
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine
SMILESCc1cc(C)nc(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C13H13N5/c1-8-5-9(2)17-13(16-8)18-12-6-11(14)4-3-10(12)7-15-18/h3-7H,14H2,1-2H3
InChIKeyLBKSJSQXSWQHFW-UHFFFAOYSA-N
XLogP2.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine (CID 61174887) is 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine is Cc1cc(C)nc(-n2ncc3ccc(N)cc32)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine?
The InChIKey is LBKSJSQXSWQHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-5-9(2)17-13(16-8)18-12-6-11(14)4-3-10(12)7-15-18/h3-7H,14H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine?
1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine has a molecular weight of 239.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine is sourced from PubChem (CID 61174887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).