1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine

C22H22N4 — CID 175126392

IUPAC1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine
SMILESCC(NC1=CN(C)CN=C1)c1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C22H22N4/c1-16(24-19-13-23-15-26(2)14-19)20-12-18-10-6-7-11-21(18)25-22(20)17-8-4-3-5-9-17/h3-14,16,24H,15H2,1-2H3
InChIKeyVESMMMNXHCZNBI-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.37
Rot. Bonds4

About 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine

1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine (PubChem CID 175126392) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine
PubChem CID175126392
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine
SMILESCC(NC1=CN(C)CN=C1)c1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C22H22N4/c1-16(24-19-13-23-15-26(2)14-19)20-12-18-10-6-7-11-21(18)25-22(20)17-8-4-3-5-9-17/h3-14,16,24H,15H2,1-2H3
InChIKeyVESMMMNXHCZNBI-UHFFFAOYSA-N
XLogP4.37
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-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 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine?
The IUPAC name of 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine (CID 175126392) is 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine.
What is the SMILES notation for 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine?
The canonical SMILES for 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine is CC(NC1=CN(C)CN=C1)c1cc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine?
The InChIKey is VESMMMNXHCZNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-16(24-19-13-23-15-26(2)14-19)20-12-18-10-6-7-11-21(18)25-22(20)17-8-4-3-5-9-17/h3-14,16,24H,15H2,1-2H3.
What are the key properties of 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine?
1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine has a molecular weight of 342.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine is sourced from PubChem (CID 175126392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).