2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide

C20H22N4OS — CID 58775487

IUPAC2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCCc1nc(-c2ccsc2)nc(Nc2ccc(CC(N)=O)cc2)c1CC
InChIInChI=1S/C20H22N4OS/c1-3-16-17(4-2)23-19(14-9-10-26-12-14)24-20(16)22-15-7-5-13(6-8-15)11-18(21)25/h5-10,12H,3-4,11H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyJVPQWBALYIKHJA-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.10
Rot. Bonds7

About 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide

2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 58775487) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID58775487
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCCc1nc(-c2ccsc2)nc(Nc2ccc(CC(N)=O)cc2)c1CC
InChIInChI=1S/C20H22N4OS/c1-3-16-17(4-2)23-19(14-9-10-26-12-14)24-20(16)22-15-7-5-13(6-8-15)11-18(21)25/h5-10,12H,3-4,11H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyJVPQWBALYIKHJA-UHFFFAOYSA-N
XLogP4.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 58775487) is 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide is CCc1nc(-c2ccsc2)nc(Nc2ccc(CC(N)=O)cc2)c1CC.
What is the InChIKey of 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is JVPQWBALYIKHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-16-17(4-2)23-19(14-9-10-26-12-14)24-20(16)22-15-7-5-13(6-8-15)11-18(21)25/h5-10,12H,3-4,11H2,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide?
2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 58775487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).