N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine

C10H16ClN3O2S — CID 80663541

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCc1cc(Cl)nc(CN(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C10H16ClN3O2S/c1-8-6-9(11)13-10(12-8)7-14(2)4-5-17(3,15)16/h6H,4-5,7H2,1-3H3
InChIKeyVCESWYKQXQLCPW-UHFFFAOYSA-N
MW277.78 g/mol
LogP0.91
Rot. Bonds5

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine (PubChem CID 80663541) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
PubChem CID80663541
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCc1cc(Cl)nc(CN(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C10H16ClN3O2S/c1-8-6-9(11)13-10(12-8)7-14(2)4-5-17(3,15)16/h6H,4-5,7H2,1-3H3
InChIKeyVCESWYKQXQLCPW-UHFFFAOYSA-N
XLogP0.91
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine 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-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine (CID 80663541) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine is Cc1cc(Cl)nc(CN(C)CCS(C)(=O)=O)n1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine?
The InChIKey is VCESWYKQXQLCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-8-6-9(11)13-10(12-8)7-14(2)4-5-17(3,15)16/h6H,4-5,7H2,1-3H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine has a molecular weight of 277.78 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 80663541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).