4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine

C15H14N2O3S — CID 133407602

IUPAC4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine
SMILESCOc1cc(OC)cc(Oc2ncnc3sc(C)cc23)c1
InChIInChI=1S/C15H14N2O3S/c1-9-4-13-14(16-8-17-15(13)21-9)20-12-6-10(18-2)5-11(7-12)19-3/h4-8H,1-3H3
InChIKeyASTMSPDLKLBWHS-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.81
Rot. Bonds4

About 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine

4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133407602) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine
PubChem CID133407602
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine
SMILESCOc1cc(OC)cc(Oc2ncnc3sc(C)cc23)c1
InChIInChI=1S/C15H14N2O3S/c1-9-4-13-14(16-8-17-15(13)21-9)20-12-6-10(18-2)5-11(7-12)19-3/h4-8H,1-3H3
InChIKeyASTMSPDLKLBWHS-UHFFFAOYSA-N
XLogP3.81
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 63616892
4-(2,3-dihydro-1H-inden-5-yloxy)-6-methylthieno[2,3-d]pyrimidine
CID 133407372
6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 20963306
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436488
3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 133409231
6-methyl-4-(1-oxidopyridin-1-ium-2-yl)oxythieno[2,3-d]pyrimidine
CID 133407550
5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 107730175
6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine
CID 133407813
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine
CID 63617901
4-(2-iodo-5-nitrophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 133498802
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80917651

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine (CID 133407602) is 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine is COc1cc(OC)cc(Oc2ncnc3sc(C)cc23)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is ASTMSPDLKLBWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-4-13-14(16-8-17-15(13)21-9)20-12-6-10(18-2)5-11(7-12)19-3/h4-8H,1-3H3.
What are the key properties of 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine?
4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 302.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133407602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).