2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine

C7H10ClN3O2S — CID 83852624

IUPAC2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine
SMILESCS(=O)(=O)c1ncc(CCN)c(Cl)n1
InChIInChI=1S/C7H10ClN3O2S/c1-14(12,13)7-10-4-5(2-3-9)6(8)11-7/h4H,2-3,9H2,1H3
InChIKeyAYWYFAWTZAKNMP-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.03
Rot. Bonds3

About 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine

2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine (PubChem CID 83852624) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine
PubChem CID83852624
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine
SMILESCS(=O)(=O)c1ncc(CCN)c(Cl)n1
InChIInChI=1S/C7H10ClN3O2S/c1-14(12,13)7-10-4-5(2-3-9)6(8)11-7/h4H,2-3,9H2,1H3
InChIKeyAYWYFAWTZAKNMP-UHFFFAOYSA-N
XLogP0.03
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852150
S-(4-chlorophenyl) 4-chloro-2-methylsulfonylpyrimidine-5-carbothioate
CID 73254093
(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
CID 84721428
(5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine
CID 174902540
4-chloro-2-methylsulfonyl-5-phenylpyrimidine
CID 24903705
4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine
CID 133080967
ethyl 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)-3-hydroxy-2-methylpropanoate
CID 176916292
5-methyl-2-methylsulfonylpyrimidine-4-carboxamide
CID 147689446
4-chloro-5-ethylpyrimidin-2-amine
CID 24903854
3-chloro-1-methyl-5-(2-methylsulfonyl-5-propylpyrimidin-4-yl)pyridin-2-one
CID 118022330
2,4-dichloro-5-(2-fluoroethyl)pyrimidine
CID 83854274
(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine
CID 163304288

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine (CID 83852624) is 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine is CS(=O)(=O)c1ncc(CCN)c(Cl)n1.
What is the InChIKey of 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine?
The InChIKey is AYWYFAWTZAKNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-14(12,13)7-10-4-5(2-3-9)6(8)11-7/h4H,2-3,9H2,1H3.
What are the key properties of 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine?
2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine has a molecular weight of 235.70 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 83852624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).