(2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

C21H17N5O — CID 134539262

IUPAC(2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESCc1ccc2cc(C(=O)c3cnc(NCc4cccnc4)nc3)ccc2n1
InChIInChI=1S/C21H17N5O/c1-14-4-5-16-9-17(6-7-19(16)26-14)20(27)18-12-24-21(25-13-18)23-11-15-3-2-8-22-10-15/h2-10,12-13H,11H2,1H3,(H,23,24,25)
InChIKeyUDAOFNIBKHOPKM-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.57
Rot. Bonds5

About (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

(2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 134539262) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID134539262
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name(2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESCc1ccc2cc(C(=O)c3cnc(NCc4cccnc4)nc3)ccc2n1
InChIInChI=1S/C21H17N5O/c1-14-4-5-16-9-17(6-7-19(16)26-14)20(27)18-12-24-21(25-13-18)23-11-15-3-2-8-22-10-15/h2-10,12-13H,11H2,1H3,(H,23,24,25)
InChIKeyUDAOFNIBKHOPKM-UHFFFAOYSA-N
XLogP3.57
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone 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-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (CID 134539262) is (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is Cc1ccc2cc(C(=O)c3cnc(NCc4cccnc4)nc3)ccc2n1.
What is the InChIKey of (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is UDAOFNIBKHOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-14-4-5-16-9-17(6-7-19(16)26-14)20(27)18-12-24-21(25-13-18)23-11-15-3-2-8-22-10-15/h2-10,12-13H,11H2,1H3,(H,23,24,25).
What are the key properties of (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
(2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 355.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-6-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 134539262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).