2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone

C19H23ClN4O2S — CID 24670163

IUPAC2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
SMILESCCc1nc(SCC(=O)N2CCOC(C)C2)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O2S/c1-3-15-17(13-4-6-14(20)7-5-13)18(21)23-19(22-15)27-11-16(25)24-8-9-26-12(2)10-24/h4-7,12H,3,8-11H2,1-2H3,(H2,21,22,23)
InChIKeyRSUWQDXNIPTTCE-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.28
Rot. Bonds5

About 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone

2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 24670163) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID24670163
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
SMILESCCc1nc(SCC(=O)N2CCOC(C)C2)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O2S/c1-3-15-17(13-4-6-14(20)7-5-13)18(21)23-19(22-15)27-11-16(25)24-8-9-26-12(2)10-24/h4-7,12H,3,8-11H2,1-2H3,(H2,21,22,23)
InChIKeyRSUWQDXNIPTTCE-UHFFFAOYSA-N
XLogP3.28
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
CID 24577928
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 43213316
2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 32889749
2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 43301826
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[(2R)-2-methylmorpholin-4-yl]propan-1-one
CID 30176196
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
CID 51293358
1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24577406
2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62101718
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
(2-amino-6-ethyl-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 113380956
2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 55479793

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone (CID 24670163) is 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone is CCc1nc(SCC(=O)N2CCOC(C)C2)nc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is RSUWQDXNIPTTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-3-15-17(13-4-6-14(20)7-5-13)18(21)23-19(22-15)27-11-16(25)24-8-9-26-12(2)10-24/h4-7,12H,3,8-11H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 406.94 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 24670163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).