4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine

C12H8ClN3S — CID 4312367

IUPAC4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine
SMILESClc1ccc(-c2ccnc(-n3cccc3)n2)s1
InChIInChI=1S/C12H8ClN3S/c13-11-4-3-10(17-11)9-5-6-14-12(15-9)16-7-1-2-8-16/h1-8H
InChIKeyFVCAAUADNSOSIV-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.65
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine

4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine (PubChem CID 4312367) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine
PubChem CID4312367
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine
SMILESClc1ccc(-c2ccnc(-n3cccc3)n2)s1
InChIInChI=1S/C12H8ClN3S/c13-11-4-3-10(17-11)9-5-6-14-12(15-9)16-7-1-2-8-16/h1-8H
InChIKeyFVCAAUADNSOSIV-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine
CID 82477239
4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
CID 116903681
4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine
CID 3608256
4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide
CID 116904013
2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]butan-1-amine
CID 116903124
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
2-(3-chlorophenyl)-6-(5-chlorothiophen-2-yl)-4-(furan-3-yl)pyridine
CID 46229628
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole
CID 82125946
2-chloro-4-[5-(2-phenylethenyl)thiophen-2-yl]pyrimidine
CID 72682708
2-(5-chlorothiophen-2-yl)-8-methoxyimidazo[1,2-a]pyridine
CID 113303391
2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine
CID 116832484

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine (CID 4312367) is 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine is Clc1ccc(-c2ccnc(-n3cccc3)n2)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The InChIKey is FVCAAUADNSOSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c13-11-4-3-10(17-11)9-5-6-14-12(15-9)16-7-1-2-8-16/h1-8H.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine has a molecular weight of 261.74 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 4312367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).