N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide

C11H11N3OS — CID 110699104

IUPACN-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1cccs1)c1ccncn1
InChIInChI=1S/C11H11N3OS/c15-11(10-4-5-12-8-14-10)13-6-3-9-2-1-7-16-9/h1-2,4-5,7-8H,3,6H2,(H,13,15)
InChIKeyXCTVWGYYGXEYAK-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.51
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide

N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide (PubChem CID 110699104) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
PubChem CID110699104
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1cccs1)c1ccncn1
InChIInChI=1S/C11H11N3OS/c15-11(10-4-5-12-8-14-10)13-6-3-9-2-1-7-16-9/h1-2,4-5,7-8H,3,6H2,(H,13,15)
InChIKeyXCTVWGYYGXEYAK-UHFFFAOYSA-N
XLogP1.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
4-hydrazinyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62249935
N-propylpyrimidine-4-carboxamide
CID 89156251
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938
N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 142259175
5-(propylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107374257

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide (CID 110699104) is N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide is O=C(NCCc1cccs1)c1ccncn1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is XCTVWGYYGXEYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-11(10-4-5-12-8-14-10)13-6-3-9-2-1-7-16-9/h1-2,4-5,7-8H,3,6H2,(H,13,15).
What are the key properties of N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 110699104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).