4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine

C11H13ClN2OS — CID 116701236

IUPAC4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine
SMILESCCOC(C)(C)c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C11H13ClN2OS/c1-4-15-11(2,3)10-13-8(12)7-5-6-16-9(7)14-10/h5-6H,4H2,1-3H3
InChIKeyGHLMPDBWNGEAEY-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.62
Rot. Bonds3

About 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine

4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine (PubChem CID 116701236) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine
PubChem CID116701236
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine
SMILESCCOC(C)(C)c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C11H13ClN2OS/c1-4-15-11(2,3)10-13-8(12)7-5-6-16-9(7)14-10/h5-6H,4H2,1-3H3
InChIKeyGHLMPDBWNGEAEY-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine
CID 63084498
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine
CID 116701232
2,4-diethoxythieno[2,3-d]pyrimidine
CID 119087931
N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 82309309
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112658823
2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 116775412
4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine
CID 116706185
4-chloro-2-(octoxymethyl)thieno[2,3-d]pyrimidine
CID 62188659
4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 172833206
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine
CID 62188469

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine (CID 116701236) is 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine is CCOC(C)(C)c1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine?
The InChIKey is GHLMPDBWNGEAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-4-15-11(2,3)10-13-8(12)7-5-6-16-9(7)14-10/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine?
4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine has a molecular weight of 256.76 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 116701236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).