4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine

C12H10ClN3S — CID 166119810

IUPAC4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(-c3ccn(C)c3)nc2s1
InChIInChI=1S/C12H10ClN3S/c1-7-5-9-10(13)14-11(15-12(9)17-7)8-3-4-16(2)6-8/h3-6H,1-2H3
InChIKeyJLINISAPOHVUFG-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.66
Rot. Bonds1

About 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine

4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine (PubChem CID 166119810) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine
PubChem CID166119810
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(-c3ccn(C)c3)nc2s1
InChIInChI=1S/C12H10ClN3S/c1-7-5-9-10(13)14-11(15-12(9)17-7)8-3-4-16(2)6-8/h3-6H,1-2H3
InChIKeyJLINISAPOHVUFG-UHFFFAOYSA-N
XLogP3.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine (CID 166119810) is 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine is Cc1cc2c(Cl)nc(-c3ccn(C)c3)nc2s1.
What is the InChIKey of 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine?
The InChIKey is JLINISAPOHVUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-7-5-9-10(13)14-11(15-12(9)17-7)8-3-4-16(2)6-8/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine?
4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine has a molecular weight of 263.75 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 166119810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).