7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine

C16H16N2OS — CID 145234083

IUPAC7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine
SMILESCOc1cc(C)ccc1-c1c(C)sc2cnc(C)nc12
InChIInChI=1S/C16H16N2OS/c1-9-5-6-12(13(7-9)19-4)15-10(2)20-14-8-17-11(3)18-16(14)15/h5-8H,1-4H3
InChIKeyJVDCWHBRUJWUCS-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.29
Rot. Bonds2

About 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine

7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine (PubChem CID 145234083) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine
PubChem CID145234083
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine
SMILESCOc1cc(C)ccc1-c1c(C)sc2cnc(C)nc12
InChIInChI=1S/C16H16N2OS/c1-9-5-6-12(13(7-9)19-4)15-10(2)20-14-8-17-11(3)18-16(14)15/h5-8H,1-4H3
InChIKeyJVDCWHBRUJWUCS-UHFFFAOYSA-N
XLogP4.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-2,6-dimethylquinazoline
CID 143712441
2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106792982
4-(2-methoxy-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 106793544
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106793138
2-(difluoromethoxy)-5-(2-methoxy-4-methylphenyl)pyrazine
CID 178073329
(1S)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106793259
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine?
The IUPAC name of 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine (CID 145234083) is 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine?
The canonical SMILES for 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine is COc1cc(C)ccc1-c1c(C)sc2cnc(C)nc12.
What is the InChIKey of 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine?
The InChIKey is JVDCWHBRUJWUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-9-5-6-12(13(7-9)19-4)15-10(2)20-14-8-17-11(3)18-16(14)15/h5-8H,1-4H3.
What are the key properties of 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine?
7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine has a molecular weight of 284.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-4-methylphenyl)-2,6-dimethylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 145234083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).