4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine

C14H12N2O2S2 — CID 1484666

IUPAC4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine
SMILESCOc1ccc(Oc2nc(SC)nc3ccsc23)cc1
InChIInChI=1S/C14H12N2O2S2/c1-17-9-3-5-10(6-4-9)18-13-12-11(7-8-20-12)15-14(16-13)19-2/h3-8H,1-2H3
InChIKeyVTNHOKYMZDRTPA-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.21
Rot. Bonds4

About 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine

4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine (PubChem CID 1484666) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine
PubChem CID1484666
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine
SMILESCOc1ccc(Oc2nc(SC)nc3ccsc23)cc1
InChIInChI=1S/C14H12N2O2S2/c1-17-9-3-5-10(6-4-9)18-13-12-11(7-8-20-12)15-14(16-13)19-2/h3-8H,1-2H3
InChIKeyVTNHOKYMZDRTPA-UHFFFAOYSA-N
XLogP4.21
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methylthieno[2,3-d]pyrimidin-4-yl phenyl ether
CID 1233965
N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 16666960
N-(4-methoxyphenyl)-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine
CID 44583630
4-(4-Methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2457327
2-(Methylsulfanyl)-4-phenoxythieno[3,2-d]pyrimidine
CID 1484663
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(4-methoxyphenoxy)thieno[3,2-d]pyrimidine
CID 118720109
4-(4-Chlorophenoxy)-2-(trichloromethyl)thieno[3,2-d]pyrimidine
CID 134136366
(E)-N-[3-[2-(3-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]hex-2-enamide
CID 162663555
N-[3-[2-(3-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 162667534
N-(2,5-dimethoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 44583613
Antiproliferative agent-52
CID 171393605
4-(3-fluorophenoxy)-N-(2-methoxyethyl)thieno[3,2-d]pyrimidin-2-amine
CID 49795286

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine (CID 1484666) is 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine is COc1ccc(Oc2nc(SC)nc3ccsc23)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine?
The InChIKey is VTNHOKYMZDRTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-17-9-3-5-10(6-4-9)18-13-12-11(7-8-20-12)15-14(16-13)19-2/h3-8H,1-2H3.
What are the key properties of 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine?
4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine has a molecular weight of 304.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 1484666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).