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

C7H10ClN3S — CID 83852150

IUPAC2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
SMILESCSc1ncc(CCN)c(Cl)n1
InChIInChI=1S/C7H10ClN3S/c1-12-7-10-4-5(2-3-9)6(8)11-7/h4H,2-3,9H2,1H3
InChIKeyQVYREHSDIRPQMY-UHFFFAOYSA-N
MW203.70 g/mol
LogP1.35
Rot. Bonds3

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

2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine (PubChem CID 83852150) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
PubChem CID83852150
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
SMILESCSc1ncc(CCN)c(Cl)n1
InChIInChI=1S/C7H10ClN3S/c1-12-7-10-4-5(2-3-9)6(8)11-7/h4H,2-3,9H2,1H3
InChIKeyQVYREHSDIRPQMY-UHFFFAOYSA-N
XLogP1.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine
CID 170869062
2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine
CID 83852624
[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride
CID 68701908
(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine
CID 83851940
5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
CID 169461709
4,5-diethyl-2-methylsulfanylpyrimidine;formamide
CID 175057722
2-(4-amino-2-methylsulfanylpyrimidin-5-yl)acetonitrile
CID 84768192
2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852227
prop-2-enyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
CID 87323681
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-2-methylpropanal
CID 143911414
2,4-dichloro-5-(2-fluoroethyl)pyrimidine
CID 83854274
1-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-2-methoxyethanone
CID 164933954

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine (CID 83852150) is 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine is CSc1ncc(CCN)c(Cl)n1.
What is the InChIKey of 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine?
The InChIKey is QVYREHSDIRPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c1-12-7-10-4-5(2-3-9)6(8)11-7/h4H,2-3,9H2,1H3.
What are the key properties of 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine?
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine has a molecular weight of 203.70 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 83852150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).