2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C18H22N4O3S — CID 9418795

IUPAC2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)n2)c1
InChIInChI=1S/C18H22N4O3S/c1-12-8-13(2)20-18(19-12)26-11-17(24)22(3)10-16(23)21-14-6-5-7-15(9-14)25-4/h5-9H,10-11H2,1-4H3,(H,21,23)
InChIKeyNPWSUSCNRGMILM-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.29
Rot. Bonds7

About 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 9418795) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID9418795
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)n2)c1
InChIInChI=1S/C18H22N4O3S/c1-12-8-13(2)20-18(19-12)26-11-17(24)22(3)10-16(23)21-14-6-5-7-15(9-14)25-4/h5-9H,10-11H2,1-4H3,(H,21,23)
InChIKeyNPWSUSCNRGMILM-UHFFFAOYSA-N
XLogP2.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 3952446
N-(3-Methoxy-phenyl)-2-[2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-benzoimidazol-1-yl]-acetamide
CID 650532
3-(3,4-Dimethoxy-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylamino)-3,5-dihydro-imidazol-4-one
CID 742639
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
2-((4,6-Diaminopyrimidin-2-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 846576
N-(4-methoxyphenyl)-2-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio}acetamide
CID 2236145
3-(3-Methoxyphenyl)-1-(4-{[4-methyl-6-(pyrrolidin-1-YL)pyrimidin-2-YL]amino}phenyl)urea
CID 44522246
1-(4-{[4-(Dimethylamino)-6-methylpyrimidin-2-YL]amino}phenyl)-3-(3-methoxyphenyl)urea
CID 44522247
6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 44526614
2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
CID 44526622
6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 44526623
2-N-(3-methoxyphenyl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 145985675

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 9418795) is 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)n2)c1.
What is the InChIKey of 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is NPWSUSCNRGMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-8-13(2)20-18(19-12)26-11-17(24)22(3)10-16(23)21-14-6-5-7-15(9-14)25-4/h5-9H,10-11H2,1-4H3,(H,21,23).
What are the key properties of 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 374.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9418795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).