N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine

C15H15N5 — CID 135455191

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2c[nH]c3ccccc23)n1
InChIInChI=1S/C15H15N5/c1-10-7-11(2)19-15(18-10)20-17-9-12-8-16-14-6-4-3-5-13(12)14/h3-9,16H,1-2H3,(H,18,19,20)/b17-9+
InChIKeyCEGFJRNYMWHXAD-RQZCQDPDSA-N
MW265.32 g/mol
LogP3.02
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 135455191) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID135455191
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2c[nH]c3ccccc23)n1
InChIInChI=1S/C15H15N5/c1-10-7-11(2)19-15(18-10)20-17-9-12-8-16-14-6-4-3-5-13(12)14/h3-9,16H,1-2H3,(H,18,19,20)/b17-9+
InChIKeyCEGFJRNYMWHXAD-RQZCQDPDSA-N
XLogP3.02
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-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 N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 135455191) is N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N/N=C/c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is CEGFJRNYMWHXAD-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-7-11(2)19-15(18-10)20-17-9-12-8-16-14-6-4-3-5-13(12)14/h3-9,16H,1-2H3,(H,18,19,20)/b17-9+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 135455191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).