methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate

C17H16N2O3S — CID 2694891

IUPACmethyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C17H16N2O3S/c1-10-11(2)23-16-14(10)15(18-9-19-16)22-8-12-4-6-13(7-5-12)17(20)21-3/h4-7,9H,8H2,1-3H3
InChIKeyVQFAAPNLDKQUOQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.67
Rot. Bonds4

About methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate

methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate (PubChem CID 2694891) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
PubChem CID2694891
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Namemethyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C17H16N2O3S/c1-10-11(2)23-16-14(10)15(18-9-19-16)22-8-12-4-6-13(7-5-12)17(20)21-3/h4-7,9H,8H2,1-3H3
InChIKeyVQFAAPNLDKQUOQ-UHFFFAOYSA-N
XLogP3.67
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate with MolForge

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Related Compounds

methyl 4-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 1186201
methyl 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 6292670
N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2484160
1-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 9212485
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(2-methylpropyl)acetamide
CID 2477330
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-phenylacetamide
CID 2528122
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
CID 9250705
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 4017331
4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158
1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone
CID 112776121

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate?
The IUPAC name of methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate (CID 2694891) is methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate is COC(=O)c1ccc(COc2ncnc3sc(C)c(C)c23)cc1.
What is the InChIKey of methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate?
The InChIKey is VQFAAPNLDKQUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-10-11(2)23-16-14(10)15(18-9-19-16)22-8-12-4-6-13(7-5-12)17(20)21-3/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate?
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate has a molecular weight of 328.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate is sourced from PubChem (CID 2694891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).