2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide

C13H16N4OS — CID 50985156

IUPAC2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCc2cccs2)cn1
InChIInChI=1S/C13H16N4OS/c1-2-14-13-16-8-10(9-17-13)12(18)15-6-5-11-4-3-7-19-11/h3-4,7-9H,2,5-6H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyJEJJEKNKDWBYSG-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.94
Rot. Bonds6

About 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide

2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide (PubChem CID 50985156) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
PubChem CID50985156
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCc2cccs2)cn1
InChIInChI=1S/C13H16N4OS/c1-2-14-13-16-8-10(9-17-13)12(18)15-6-5-11-4-3-7-19-11/h3-4,7-9H,2,5-6H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyJEJJEKNKDWBYSG-UHFFFAOYSA-N
XLogP1.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
5-(propylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107374257
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 37319565
N-ethyl-6-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62175204
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide (CID 50985156) is 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCCc2cccs2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is JEJJEKNKDWBYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-14-13-16-8-10(9-17-13)12(18)15-6-5-11-4-3-7-19-11/h3-4,7-9H,2,5-6H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 50985156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).