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

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Related Compounds

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 80664458
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
CID 82951094
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol
CID 80664963
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 80663277
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine
CID 80664747
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 80664231
4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine
CID 58137114
2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 82983833
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
CID 80663537
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
CID 80656944
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
CID 80658262
4-N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 80657500

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).