7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile

C14H10ClN3S — CID 3353574

IUPAC7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
SMILESCc1cc(C)n2cc(-c3sccc3Cl)c(C#N)c2n1
InChIInChI=1S/C14H10ClN3S/c1-8-5-9(2)18-7-11(10(6-16)14(18)17-8)13-12(15)3-4-19-13/h3-5,7H,1-2H3
InChIKeyPWGBYEGEKXEKGB-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.20
Rot. Bonds1

About 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile

7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile (PubChem CID 3353574) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile.

Molecular Properties

Compound Name7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
PubChem CID3353574
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
SMILESCc1cc(C)n2cc(-c3sccc3Cl)c(C#N)c2n1
InChIInChI=1S/C14H10ClN3S/c1-8-5-9(2)18-7-11(10(6-16)14(18)17-8)13-12(15)3-4-19-13/h3-5,7H,1-2H3
InChIKeyPWGBYEGEKXEKGB-UHFFFAOYSA-N
XLogP4.20
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-Chloro-2-thienyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10064916
N-benzyl-6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808754
4-(3-chloro-2-thienyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 4255524
2-[4-(7-Thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile
CID 118733889
4-(5-chloro-2-thienyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 4312367
3-(4-Chlorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 117769344
4-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)benzonitrile
CID 117769373
3-(4-Chlorophenyl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 117769601
4-methyl-6-(3-methyl-2-thienyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 3504941
4-(3-methyl-2-thienyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 3608256
6-Methyl-2-propyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51360016
2-Tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51360017

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile?
The IUPAC name of 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile (CID 3353574) is 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile.
What is the SMILES notation for 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile?
The canonical SMILES for 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile is Cc1cc(C)n2cc(-c3sccc3Cl)c(C#N)c2n1.
What is the InChIKey of 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile?
The InChIKey is PWGBYEGEKXEKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c1-8-5-9(2)18-7-11(10(6-16)14(18)17-8)13-12(15)3-4-19-13/h3-5,7H,1-2H3.
What are the key properties of 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile?
7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile has a molecular weight of 287.78 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile is sourced from PubChem (CID 3353574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).