4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine

C13H17ClN2OS — CID 116701232

IUPAC4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine
SMILESCCOC(c1nc(Cl)c2ccsc2n1)C(C)(C)C
InChIInChI=1S/C13H17ClN2OS/c1-5-17-9(13(2,3)4)11-15-10(14)8-6-7-18-12(8)16-11/h6-7,9H,5H2,1-4H3
InChIKeyWXCPVYWXMAXFEF-UHFFFAOYSA-N
MW284.81 g/mol
LogP4.47
Rot. Bonds3

About 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine

4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine (PubChem CID 116701232) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine
PubChem CID116701232
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine
SMILESCCOC(c1nc(Cl)c2ccsc2n1)C(C)(C)C
InChIInChI=1S/C13H17ClN2OS/c1-5-17-9(13(2,3)4)11-15-10(14)8-6-7-18-12(8)16-11/h6-7,9H,5H2,1-4H3
InChIKeyWXCPVYWXMAXFEF-UHFFFAOYSA-N
XLogP4.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine
CID 116701236
2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728436
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116706684
2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728435
4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
CID 116706766
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728558
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine
CID 63084498
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728413
4-chloro-2-(octoxymethyl)thieno[2,3-d]pyrimidine
CID 62188659
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715351

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine (CID 116701232) is 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine is CCOC(c1nc(Cl)c2ccsc2n1)C(C)(C)C.
What is the InChIKey of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine?
The InChIKey is WXCPVYWXMAXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-5-17-9(13(2,3)4)11-15-10(14)8-6-7-18-12(8)16-11/h6-7,9H,5H2,1-4H3.
What are the key properties of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine?
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine has a molecular weight of 284.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 116701232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).