2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide

C19H27N5OS — CID 53189291

IUPAC2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)NCCc3cccs3)CC2)n1
InChIInChI=1S/C19H27N5OS/c1-2-20-19-22-10-6-17(23-19)24-11-7-15(8-12-24)14-18(25)21-9-5-16-4-3-13-26-16/h3-4,6,10,13,15H,2,5,7-9,11-12,14H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyKIFNVYMNXBVZAR-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.94
Rot. Bonds8

About 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 53189291) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID53189291
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)NCCc3cccs3)CC2)n1
InChIInChI=1S/C19H27N5OS/c1-2-20-19-22-10-6-17(23-19)24-11-7-15(8-12-24)14-18(25)21-9-5-16-4-3-13-26-16/h3-4,6,10,13,15H,2,5,7-9,11-12,14H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyKIFNVYMNXBVZAR-UHFFFAOYSA-N
XLogP2.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
(S,E)-2-(5-chlorothiophen-2-yl)-N-((1-(1-(2-methylpyrimidin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)ethenesulfonamide
CID 11283614
(R,E)-2-(5-chlorothiophen-2-yl)-N-((1-(1-(2-methylpyrimidin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)ethenesulfonamide
CID 11318187
8-methyl-2-(methylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328644
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 645574
4-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 646387
3-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 646464
1-(3,6-Dimethyl-pyrazin-2-yl)-piperidine-4-carboxylic acid (1-thiophen-2-yl-ethyl)-amide
CID 646756
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 53189291) is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide is CCNc1nccc(N2CCC(CC(=O)NCCc3cccs3)CC2)n1.
What is the InChIKey of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is KIFNVYMNXBVZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-2-20-19-22-10-6-17(23-19)24-11-7-15(8-12-24)14-18(25)21-9-5-16-4-3-13-26-16/h3-4,6,10,13,15H,2,5,7-9,11-12,14H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 373.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 53189291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).