4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide

C18H23N5O2S — CID 122328012

IUPAC4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCSc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C18H23N5O2S/c1-26-15-4-2-14(3-5-15)18(24)20-7-6-19-16-12-17(22-13-21-16)23-8-10-25-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyFUSSBWNZSKTFAC-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.88
Rot. Bonds7

About 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide

4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 122328012) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID122328012
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCSc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C18H23N5O2S/c1-26-15-4-2-14(3-5-15)18(24)20-7-6-19-16-12-17(22-13-21-16)23-8-10-25-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyFUSSBWNZSKTFAC-UHFFFAOYSA-N
XLogP1.88
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328145
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122327974
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 70702890
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-nitrobenzamide
CID 122328147
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 56921964
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327933
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide (CID 122328012) is 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide is CSc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is FUSSBWNZSKTFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-26-15-4-2-14(3-5-15)18(24)20-7-6-19-16-12-17(22-13-21-16)23-8-10-25-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,24)(H,19,21,22).
What are the key properties of 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 373.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 122328012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).