6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine

C13H13N5 — CID 80857559

IUPAC6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(-n2ncc3ccccc32)c1C
InChIInChI=1S/C13H13N5/c1-9-12(14-2)15-8-16-13(9)18-11-6-4-3-5-10(11)7-17-18/h3-8H,1-2H3,(H,14,15,16)
InChIKeyKQFBHTLMKWJTPP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.17
Rot. Bonds2

About 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine

6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80857559) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
PubChem CID80857559
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(-n2ncc3ccccc32)c1C
InChIInChI=1S/C13H13N5/c1-9-12(14-2)15-8-16-13(9)18-11-6-4-3-5-10(11)7-17-18/h3-8H,1-2H3,(H,14,15,16)
InChIKeyKQFBHTLMKWJTPP-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine (CID 80857559) is 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(-n2ncc3ccccc32)c1C.
What is the InChIKey of 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is KQFBHTLMKWJTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-12(14-2)15-8-16-13(9)18-11-6-4-3-5-10(11)7-17-18/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine?
6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80857559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).