N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

C13H14N4OS — CID 53164650

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cccs1
InChIInChI=1S/C13H14N4OS/c18-12(11-4-3-7-19-11)16-10-8-14-13(15-9-10)17-5-1-2-6-17/h3-4,7-9H,1-2,5-6H2,(H,16,18)
InChIKeyARYKPIBXBRDVSZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.39
Rot. Bonds3

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 53164650) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID53164650
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cccs1
InChIInChI=1S/C13H14N4OS/c18-12(11-4-3-7-19-11)16-10-8-14-13(15-9-10)17-5-1-2-6-17/h3-4,7-9H,1-2,5-6H2,(H,16,18)
InChIKeyARYKPIBXBRDVSZ-UHFFFAOYSA-N
XLogP2.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CID 10077147
N-(3-((5-Bromo-4-((3-(thiophene-2-carboxamido)propyl)amino)pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide
CID 10347359
[4-(5-Bromopyrimidin-2-yl)piperazino](2-thienyl)methanone
CID 2802467
N-[2-(1H-imidazol-4-yl)ethyl]-2-thiophenecarboxamide
CID 6457652
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2431997
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569
2-(Ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232935
2-Piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233205
2-(Dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233482
8-Cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one
CID 3233995

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (CID 53164650) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is O=C(Nc1cnc(N2CCCC2)nc1)c1cccs1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is ARYKPIBXBRDVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-12(11-4-3-7-19-11)16-10-8-14-13(15-9-10)17-5-1-2-6-17/h3-4,7-9H,1-2,5-6H2,(H,16,18).
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53164650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).