N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine

C10H15ClN4 — CID 80664747

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine
SMILESCc1cc(Cl)nc(CN(C)C2CNC2)n1
InChIInChI=1S/C10H15ClN4/c1-7-3-9(11)14-10(13-7)6-15(2)8-4-12-5-8/h3,8,12H,4-6H2,1-2H3
InChIKeyINGBUMMDLSTQCZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP0.84
Rot. Bonds3

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine (PubChem CID 80664747) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine
PubChem CID80664747
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine
SMILESCc1cc(Cl)nc(CN(C)C2CNC2)n1
InChIInChI=1S/C10H15ClN4/c1-7-3-9(11)14-10(13-7)6-15(2)8-4-12-5-8/h3,8,12H,4-6H2,1-2H3
InChIKeyINGBUMMDLSTQCZ-UHFFFAOYSA-N
XLogP0.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-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-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine (CID 80664747) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine is Cc1cc(Cl)nc(CN(C)C2CNC2)n1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine?
The InChIKey is INGBUMMDLSTQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-3-9(11)14-10(13-7)6-15(2)8-4-12-5-8/h3,8,12H,4-6H2,1-2H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 80664747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).