5-chloro-4-ethylsulfanylpyrimidin-2-amine

C6H8ClN3S — CID 80888466

IUPAC5-chloro-4-ethylsulfanylpyrimidin-2-amine
SMILESCCSc1nc(N)ncc1Cl
InChIInChI=1S/C6H8ClN3S/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyOWYYVGBXDLMXLR-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.82
Rot. Bonds2

About 5-chloro-4-ethylsulfanylpyrimidin-2-amine

5-chloro-4-ethylsulfanylpyrimidin-2-amine (PubChem CID 80888466) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 5-chloro-4-ethylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-ethylsulfanylpyrimidin-2-amine
PubChem CID80888466
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name5-chloro-4-ethylsulfanylpyrimidin-2-amine
SMILESCCSc1nc(N)ncc1Cl
InChIInChI=1S/C6H8ClN3S/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyOWYYVGBXDLMXLR-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzylsulfanyl-5-chloropyrimidin-2-amine
CID 80887728
4-chloro-5-ethylpyrimidin-2-amine
CID 24903854
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713
2,3,5-trichloro-6-ethylsulfanylpyridine
CID 102752225
5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine
CID 80885744
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine
CID 80889411
4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine
CID 80890706
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912
5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine
CID 107765747
2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
CID 79633255
2-(2,5-dichloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
CID 79632122
5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 112667834

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-ethylsulfanylpyrimidin-2-amine (CID 80888466) is 5-chloro-4-ethylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-ethylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-ethylsulfanylpyrimidin-2-amine is CCSc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-ethylsulfanylpyrimidin-2-amine?
The InChIKey is OWYYVGBXDLMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3,(H2,8,9,10).
What are the key properties of 5-chloro-4-ethylsulfanylpyrimidin-2-amine?
5-chloro-4-ethylsulfanylpyrimidin-2-amine has a molecular weight of 189.67 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80888466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).