2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

C20H23N5OS — CID 69463323

IUPAC2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCCN(CC)C(C(N)=O)c1ccc(Nc2ncc(-c3ccsc3)cn2)cc1
InChIInChI=1S/C20H23N5OS/c1-3-25(4-2)18(19(21)26)14-5-7-17(8-6-14)24-20-22-11-16(12-23-20)15-9-10-27-13-15/h5-13,18H,3-4H2,1-2H3,(H2,21,26)(H,22,23,24)
InChIKeyCCPXEAAPTXIATG-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.82
Rot. Bonds8

About 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 69463323) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID69463323
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCCN(CC)C(C(N)=O)c1ccc(Nc2ncc(-c3ccsc3)cn2)cc1
InChIInChI=1S/C20H23N5OS/c1-3-25(4-2)18(19(21)26)14-5-7-17(8-6-14)24-20-22-11-16(12-23-20)15-9-10-27-13-15/h5-13,18H,3-4H2,1-2H3,(H2,21,26)(H,22,23,24)
InChIKeyCCPXEAAPTXIATG-UHFFFAOYSA-N
XLogP3.82
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 69463323) is 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is CCN(CC)C(C(N)=O)c1ccc(Nc2ncc(-c3ccsc3)cn2)cc1.
What is the InChIKey of 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is CCPXEAAPTXIATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-3-25(4-2)18(19(21)26)14-5-7-17(8-6-14)24-20-22-11-16(12-23-20)15-9-10-27-13-15/h5-13,18H,3-4H2,1-2H3,(H2,21,26)(H,22,23,24).
What are the key properties of 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 381.51 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 69463323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).