2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine

C12H12N4 — CID 107589531

IUPAC2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1cncnc1)C2
InChIInChI=1S/C12H12N4/c13-11-2-1-9-6-16(7-10(9)3-11)12-4-14-8-15-5-12/h1-5,8H,6-7,13H2
InChIKeyJRKPOBHPFNHDAJ-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.58
Rot. Bonds1

About 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine

2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine (PubChem CID 107589531) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine
PubChem CID107589531
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1cncnc1)C2
InChIInChI=1S/C12H12N4/c13-11-2-1-9-6-16(7-10(9)3-11)12-4-14-8-15-5-12/h1-5,8H,6-7,13H2
InChIKeyJRKPOBHPFNHDAJ-UHFFFAOYSA-N
XLogP1.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine 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 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine (CID 107589531) is 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(c1cncnc1)C2.
What is the InChIKey of 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine?
The InChIKey is JRKPOBHPFNHDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-11-2-1-9-6-16(7-10(9)3-11)12-4-14-8-15-5-12/h1-5,8H,6-7,13H2.
What are the key properties of 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine?
2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine has a molecular weight of 212.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 107589531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).