4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine

C19H16N8 — CID 15980290

IUPAC4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine
SMILESCn1ncc2ccc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)cc21
InChIInChI=1S/C19H16N8/c1-27-17-9-13(6-5-12(17)10-22-27)23-19-20-8-7-18(25-19)24-15-3-2-4-16-14(15)11-21-26-16/h2-11H,1H3,(H,21,26)(H2,20,23,24,25)
InChIKeyWFKZMMSFKIEDMA-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.73
Rot. Bonds4

About 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine

4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 15980290) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine
PubChem CID15980290
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine
SMILESCn1ncc2ccc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)cc21
InChIInChI=1S/C19H16N8/c1-27-17-9-13(6-5-12(17)10-22-27)23-19-20-8-7-18(25-19)24-15-3-2-4-16-14(15)11-21-26-16/h2-11H,1H3,(H,21,26)(H2,20,23,24,25)
InChIKeyWFKZMMSFKIEDMA-UHFFFAOYSA-N
XLogP3.73
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-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 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine (CID 15980290) is 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine is Cn1ncc2ccc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)cc21.
What is the InChIKey of 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is WFKZMMSFKIEDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-27-17-9-13(6-5-12(17)10-22-27)23-19-20-8-7-18(25-19)24-15-3-2-4-16-14(15)11-21-26-16/h2-11H,1H3,(H,21,26)(H2,20,23,24,25).
What are the key properties of 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine?
4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 356.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-4-yl)-2-N-(1-methylindazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 15980290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).