2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone

C12H18N4O2S — CID 24577928

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
SMILESCc1cc(N)nc(SCC(=O)N2CCOC(C)C2)n1
InChIInChI=1S/C12H18N4O2S/c1-8-5-10(13)15-12(14-8)19-7-11(17)16-3-4-18-9(2)6-16/h5,9H,3-4,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyUSOKZMFMPNKODQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.71
Rot. Bonds3

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 24577928) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID24577928
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
SMILESCc1cc(N)nc(SCC(=O)N2CCOC(C)C2)n1
InChIInChI=1S/C12H18N4O2S/c1-8-5-10(13)15-12(14-8)19-7-11(17)16-3-4-18-9(2)6-16/h5,9H,3-4,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyUSOKZMFMPNKODQ-UHFFFAOYSA-N
XLogP0.71
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 43213316
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 43301826
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 119412728
2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
CID 24670163
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-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 40663109
(2-amino-6-ethyl-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 113380956
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 51190704
1-(4-aminopiperidin-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone;hydrochloride
CID 119376188
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 24651946

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone (CID 24577928) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone is Cc1cc(N)nc(SCC(=O)N2CCOC(C)C2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is USOKZMFMPNKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8-5-10(13)15-12(14-8)19-7-11(17)16-3-4-18-9(2)6-16/h5,9H,3-4,6-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 282.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 24577928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).