6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

C13H15N7 — CID 51356855

IUPAC6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C13H15N7/c1-20(2)11-6-9(16-13(15)17-11)7-3-4-8-10(5-7)18-19-12(8)14/h3-6H,1-2H3,(H3,14,18,19)(H2,15,16,17)
InChIKeyIYWBGQMZDRCNAW-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.25
Rot. Bonds2

About 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 51356855) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID51356855
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C13H15N7/c1-20(2)11-6-9(16-13(15)17-11)7-3-4-8-10(5-7)18-19-12(8)14/h3-6H,1-2H3,(H3,14,18,19)(H2,15,16,17)
InChIKeyIYWBGQMZDRCNAW-UHFFFAOYSA-N
XLogP1.25
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 51356855) is 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is IYWBGQMZDRCNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-20(2)11-6-9(16-13(15)17-11)7-3-4-8-10(5-7)18-19-12(8)14/h3-6H,1-2H3,(H3,14,18,19)(H2,15,16,17).
What are the key properties of 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 269.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-indazol-6-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 51356855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).