4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine

C13H11N3S — CID 3608256

IUPAC4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine
SMILESCc1ccsc1-c1ccnc(-n2cccc2)n1
InChIInChI=1S/C13H11N3S/c1-10-5-9-17-12(10)11-4-6-14-13(15-11)16-7-2-3-8-16/h2-9H,1H3
InChIKeyVWMAOCPEKHEGTE-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.30
Rot. Bonds2

About 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine

4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine (PubChem CID 3608256) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine
PubChem CID3608256
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine
SMILESCc1ccsc1-c1ccnc(-n2cccc2)n1
InChIInChI=1S/C13H11N3S/c1-10-5-9-17-12(10)11-4-6-14-13(15-11)16-7-2-3-8-16/h2-9H,1H3
InChIKeyVWMAOCPEKHEGTE-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The IUPAC name of 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine (CID 3608256) is 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The canonical SMILES for 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine is Cc1ccsc1-c1ccnc(-n2cccc2)n1.
What is the InChIKey of 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The InChIKey is VWMAOCPEKHEGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-10-5-9-17-12(10)11-4-6-14-13(15-11)16-7-2-3-8-16/h2-9H,1H3.
What are the key properties of 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine has a molecular weight of 241.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 3608256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).