4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine

C12H9N3S — CID 71514139

IUPAC4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine
SMILESc1c[nH]c(-c2ncncc2-c2ccsc2)c1
InChIInChI=1S/C12H9N3S/c1-2-11(14-4-1)12-10(6-13-8-15-12)9-3-5-16-7-9/h1-8,14H
InChIKeyBJAQMUMBCPPVHY-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.20
Rot. Bonds2

About 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine

4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine (PubChem CID 71514139) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine
PubChem CID71514139
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine
SMILESc1c[nH]c(-c2ncncc2-c2ccsc2)c1
InChIInChI=1S/C12H9N3S/c1-2-11(14-4-1)12-10(6-13-8-15-12)9-3-5-16-7-9/h1-8,14H
InChIKeyBJAQMUMBCPPVHY-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
4-Benzo[b]thiophen-4-yl-1H-imidazole
CID 10176567
Pyrrolidine-constrained phenethylamine 29b
CID 23647105
N-methyl-5-(1H-pyrrol-3-yl)-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135423771
N-methyl-3,5-di(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135425186
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 944383
6,7-Dihydro-4-(1H-imidazole-4-yl)benzo[b]thiophene
CID 9815610

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine?
The IUPAC name of 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine (CID 71514139) is 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine.
What is the SMILES notation for 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine?
The canonical SMILES for 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine is c1c[nH]c(-c2ncncc2-c2ccsc2)c1.
What is the InChIKey of 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine?
The InChIKey is BJAQMUMBCPPVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-11(14-4-1)12-10(6-13-8-15-12)9-3-5-16-7-9/h1-8,14H.
What are the key properties of 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine?
4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine has a molecular weight of 227.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-2-yl)-5-thiophen-3-ylpyrimidine is sourced from PubChem (CID 71514139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).