4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine

C14H13N3S — CID 3504941

IUPAC4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine
SMILESCc1cc(-c2sccc2C)nc(-n2cccc2)n1
InChIInChI=1S/C14H13N3S/c1-10-5-8-18-13(10)12-9-11(2)15-14(16-12)17-6-3-4-7-17/h3-9H,1-2H3
InChIKeyNMCDVFXNBKEWCH-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds2

About 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine

4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine (PubChem CID 3504941) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine
PubChem CID3504941
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine
SMILESCc1cc(-c2sccc2C)nc(-n2cccc2)n1
InChIInChI=1S/C14H13N3S/c1-10-5-8-18-13(10)12-9-11(2)15-14(16-12)17-6-3-4-7-17/h3-9H,1-2H3
InChIKeyNMCDVFXNBKEWCH-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The IUPAC name of 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine (CID 3504941) is 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The canonical SMILES for 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine is Cc1cc(-c2sccc2C)nc(-n2cccc2)n1.
What is the InChIKey of 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
The InChIKey is NMCDVFXNBKEWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-5-8-18-13(10)12-9-11(2)15-14(16-12)17-6-3-4-7-17/h3-9H,1-2H3.
What are the key properties of 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine?
4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-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 4-methyl-6-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 3504941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).