2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine

C13H10ClN3S — CID 14877344

IUPAC2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine
SMILESCn1cccc1-c1cc(-c2cccs2)nc(Cl)n1
InChIInChI=1S/C13H10ClN3S/c1-17-6-2-4-11(17)9-8-10(16-13(14)15-9)12-5-3-7-18-12/h2-8H,1H3
InChIKeyHOEISGRDKZRLJQ-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.86
Rot. Bonds2

About 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine

2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine (PubChem CID 14877344) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine
PubChem CID14877344
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine
SMILESCn1cccc1-c1cc(-c2cccs2)nc(Cl)n1
InChIInChI=1S/C13H10ClN3S/c1-17-6-2-4-11(17)9-8-10(16-13(14)15-9)12-5-3-7-18-12/h2-8H,1H3
InChIKeyHOEISGRDKZRLJQ-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzothiophen-2-yl)-2-chloro-6-(1-methylpyrrol-2-yl)pyrimidine
CID 15141660
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine
CID 6404958
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
3-(1-methylpyrrol-2-yl)-5-thiophen-2-yl-1,2,6-thiadiazin-4-one
CID 86278760
4-chloro-6-thiophen-2-ylpyridin-2-amine
CID 96614063
3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 56998816
2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole
CID 132570576
3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole
CID 2322112
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine?
The IUPAC name of 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine (CID 14877344) is 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine is Cn1cccc1-c1cc(-c2cccs2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine?
The InChIKey is HOEISGRDKZRLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c1-17-6-2-4-11(17)9-8-10(16-13(14)15-9)12-5-3-7-18-12/h2-8H,1H3.
What are the key properties of 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine?
2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine has a molecular weight of 275.76 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 14877344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).