N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine

C15H18N4 — CID 62771119

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine
SMILESCc1nccc(N(Cc2ccccc2N)C2CC2)n1
InChIInChI=1S/C15H18N4/c1-11-17-9-8-15(18-11)19(13-6-7-13)10-12-4-2-3-5-14(12)16/h2-5,8-9,13H,6-7,10,16H2,1H3
InChIKeyLBCOXVAYVWUPFL-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.54
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine

N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine (PubChem CID 62771119) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine
PubChem CID62771119
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine
SMILESCc1nccc(N(Cc2ccccc2N)C2CC2)n1
InChIInChI=1S/C15H18N4/c1-11-17-9-8-15(18-11)19(13-6-7-13)10-12-4-2-3-5-14(12)16/h2-5,8-9,13H,6-7,10,16H2,1H3
InChIKeyLBCOXVAYVWUPFL-UHFFFAOYSA-N
XLogP2.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-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-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine (CID 62771119) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine is Cc1nccc(N(Cc2ccccc2N)C2CC2)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine?
The InChIKey is LBCOXVAYVWUPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-17-9-8-15(18-11)19(13-6-7-13)10-12-4-2-3-5-14(12)16/h2-5,8-9,13H,6-7,10,16H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62771119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).