2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine

C13H17N5 — CID 65348270

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESCc1cc(C)nc(-n2nc3c(c2N)CCCC3)n1
InChIInChI=1S/C13H17N5/c1-8-7-9(2)16-13(15-8)18-12(14)10-5-3-4-6-11(10)17-18/h7H,3-6,14H2,1-2H3
InChIKeyJDBVUDVOWFOSJH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.74
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine

2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65348270) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65348270
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESCc1cc(C)nc(-n2nc3c(c2N)CCCC3)n1
InChIInChI=1S/C13H17N5/c1-8-7-9(2)16-13(15-8)18-12(14)10-5-3-4-6-11(10)17-18/h7H,3-6,14H2,1-2H3
InChIKeyJDBVUDVOWFOSJH-UHFFFAOYSA-N
XLogP1.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine (CID 65348270) is 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine is Cc1cc(C)nc(-n2nc3c(c2N)CCCC3)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is JDBVUDVOWFOSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-7-9(2)16-13(15-8)18-12(14)10-5-3-4-6-11(10)17-18/h7H,3-6,14H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65348270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).