2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine

C12H11ClN2OS — CID 103320244

IUPAC2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine
SMILESC#CC(C)(C)Oc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C12H11ClN2OS/c1-5-12(3,4)16-9-8-6-7(2)17-10(8)15-11(13)14-9/h1,6H,2-4H3
InChIKeyZTZFORKLBXDXBL-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.44
Rot. Bonds2

About 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine

2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine (PubChem CID 103320244) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine
PubChem CID103320244
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine
SMILESC#CC(C)(C)Oc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C12H11ClN2OS/c1-5-12(3,4)16-9-8-6-7(2)17-10(8)15-11(13)14-9/h1,6H,2-4H3
InChIKeyZTZFORKLBXDXBL-UHFFFAOYSA-N
XLogP3.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320167
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320114
2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
CID 103320276
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160
2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320145
2-chloro-4-(2,4-difluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103319870
N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196459
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103321912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine (CID 103320244) is 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine is C#CC(C)(C)Oc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine?
The InChIKey is ZTZFORKLBXDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-5-12(3,4)16-9-8-6-7(2)17-10(8)15-11(13)14-9/h1,6H,2-4H3.
What are the key properties of 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine?
2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine has a molecular weight of 266.75 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).