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

C13H15N7 — CID 46214652

IUPAC6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C13H15N7/c1-2-16-11-6-9(17-13(15)18-11)7-3-4-8-10(5-7)19-20-12(8)14/h3-6H,2H2,1H3,(H3,14,19,20)(H3,15,16,17,18)
InChIKeyRIXHCYHQTKRWDU-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.62
Rot. Bonds3

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

6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 46214652) 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-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine
PubChem CID46214652
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C13H15N7/c1-2-16-11-6-9(17-13(15)18-11)7-3-4-8-10(5-7)19-20-12(8)14/h3-6H,2H2,1H3,(H3,14,19,20)(H3,15,16,17,18)
InChIKeyRIXHCYHQTKRWDU-UHFFFAOYSA-N
XLogP1.62
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine (CID 46214652) is 6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is RIXHCYHQTKRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-2-16-11-6-9(17-13(15)18-11)7-3-4-8-10(5-7)19-20-12(8)14/h3-6H,2H2,1H3,(H3,14,19,20)(H3,15,16,17,18).
What are the key properties of 6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine?
6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 269.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 4 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-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 46214652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).