N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine

C13H12ClN5 — CID 11637631

IUPACN-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
SMILESCc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C
InChIInChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17)
InChIKeySCUMWVJJSLLWHQ-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.07
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine

N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine (PubChem CID 11637631) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
PubChem CID11637631
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC NameN-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
SMILESCc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C
InChIInChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17)
InChIKeySCUMWVJJSLLWHQ-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine (CID 11637631) is N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine is Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine?
The InChIKey is SCUMWVJJSLLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine?
N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine has a molecular weight of 273.73 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine is sourced from PubChem (CID 11637631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).