6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one

C12H15ClN2O2S — CID 21183885

IUPAC6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCOc1nc2sc(Cl)cc2c(=O)n1CC(C)C
InChIInChI=1S/C12H15ClN2O2S/c1-4-17-12-14-10-8(5-9(13)18-10)11(16)15(12)6-7(2)3/h5,7H,4,6H2,1-3H3
InChIKeySWGRDPUHUINFTI-UHFFFAOYSA-N
MW286.78 g/mol
LogP3.17
Rot. Bonds4

About 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one

6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 21183885) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID21183885
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCOc1nc2sc(Cl)cc2c(=O)n1CC(C)C
InChIInChI=1S/C12H15ClN2O2S/c1-4-17-12-14-10-8(5-9(13)18-10)11(16)15(12)6-7(2)3/h5,7H,4,6H2,1-3H3
InChIKeySWGRDPUHUINFTI-UHFFFAOYSA-N
XLogP3.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Ethoxymethyl)thieno[2,3-d]pyrimidin-4-one
CID 91660494
6-Chloro-2-[(2,2-dichlorocyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one
CID 10926687
2-n-butyl-6-chloro-3-n-propyl-3H-thieno[2,3-d]pyrimidine-4-one
CID 11033415
2-(2,2-dichloro-cyclopropylmethoxy)-3-propyl-3H-thieno[2.3-d]pyrimidin-4-one
CID 11056694
2-propoxy-3-propyl-3H-thieno[2.3-d]pyrimidin-4-one
CID 11357207
6-Chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one
CID 18434017
6-Chloro-2-[(1-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one
CID 18434020
2-Methoxy-3-methylthieno[2,3-d]pyrimidin-4-one
CID 18738539
6-bromo-2-propoxy-3-propylthieno[2,3-d]pyrimidin-4(3H)-one
CID 18784609
6-Chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
CID 20678895
6-Bromo-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 21183868
6-Chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 21183869

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one (CID 21183885) is 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one is CCOc1nc2sc(Cl)cc2c(=O)n1CC(C)C.
What is the InChIKey of 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SWGRDPUHUINFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-4-17-12-14-10-8(5-9(13)18-10)11(16)15(12)6-7(2)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 286.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 21183885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).