4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

C17H13FN4 — CID 25218333

IUPAC4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3cccc(F)c3)n1)-c1ccccc1C2
InChIInChI=1S/C17H13FN4/c18-11-5-3-6-12(9-11)20-16-15-13-7-2-1-4-10(13)8-14(15)21-17(19)22-16/h1-7,9H,8H2,(H3,19,20,21,22)
InChIKeyJJUMBPJQWGPNKX-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.51
Rot. Bonds2

About 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine (PubChem CID 25218333) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
PubChem CID25218333
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3cccc(F)c3)n1)-c1ccccc1C2
InChIInChI=1S/C17H13FN4/c18-11-5-3-6-12(9-11)20-16-15-13-7-2-1-4-10(13)8-14(15)21-17(19)22-16/h1-7,9H,8H2,(H3,19,20,21,22)
InChIKeyJJUMBPJQWGPNKX-UHFFFAOYSA-N
XLogP3.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]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-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine (CID 25218333) is 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine is Nc1nc2c(c(Nc3cccc(F)c3)n1)-c1ccccc1C2.
What is the InChIKey of 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The InChIKey is JJUMBPJQWGPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c18-11-5-3-6-12(9-11)20-16-15-13-7-2-1-4-10(13)8-14(15)21-17(19)22-16/h1-7,9H,8H2,(H3,19,20,21,22).
What are the key properties of 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine has a molecular weight of 292.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 25218333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).