2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine

C14H13N3S — CID 3378098

IUPAC2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine
SMILESCc1ccc(C)n1-c1nccc(-c2cccs2)n1
InChIInChI=1S/C14H13N3S/c1-10-5-6-11(2)17(10)14-15-8-7-12(16-14)13-4-3-9-18-13/h3-9H,1-2H3
InChIKeyIWFMLHWJNFNFCI-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine

2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine (PubChem CID 3378098) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine
PubChem CID3378098
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine
SMILESCc1ccc(C)n1-c1nccc(-c2cccs2)n1
InChIInChI=1S/C14H13N3S/c1-10-5-6-11(2)17(10)14-15-8-7-12(16-14)13-4-3-9-18-13/h3-9H,1-2H3
InChIKeyIWFMLHWJNFNFCI-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methapyrilene
CID 4098
4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
2-(4-Methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine
CID 452522
Pyridin-2-yl-(4-thiophen-2-yl-thiazol-2-yl)-amine
CID 649291
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine (CID 3378098) is 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine is Cc1ccc(C)n1-c1nccc(-c2cccs2)n1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine?
The InChIKey is IWFMLHWJNFNFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-5-6-11(2)17(10)14-15-8-7-12(16-14)13-4-3-9-18-13/h3-9H,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine?
2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine has a molecular weight of 255.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 3378098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).