2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine

C12H15ClN2OS — CID 103320276

IUPAC2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
SMILESCCCC(C)Oc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C12H15ClN2OS/c1-4-5-7(2)16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3
InChIKeyVDOXMTZQWFETTC-UHFFFAOYSA-N
MW270.78 g/mol
LogP4.22
Rot. Bonds4

About 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine

2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine (PubChem CID 103320276) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
PubChem CID103320276
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
SMILESCCCC(C)Oc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C12H15ClN2OS/c1-4-5-7(2)16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3
InChIKeyVDOXMTZQWFETTC-UHFFFAOYSA-N
XLogP4.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-pentan-2-yloxyquinazoline
CID 102981560
2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine
CID 107751336
4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103322872
4-(1-methoxypropan-2-yloxy)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332606
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320244
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498
[4-(1-methoxypropan-2-yloxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336311
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
2-chloro-6-methyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103321761
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine (CID 103320276) is 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine is CCCC(C)Oc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine?
The InChIKey is VDOXMTZQWFETTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-4-5-7(2)16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine?
2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine has a molecular weight of 270.78 g/mol, XLogP of 4.22, 4 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-pentan-2-yloxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).