[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol

C15H14N2O2S — CID 78906950

IUPAC[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
SMILESCc1sc2ncnc(Oc3ccc(CO)cc3)c2c1C
InChIInChI=1S/C15H14N2O2S/c1-9-10(2)20-15-13(9)14(16-8-17-15)19-12-5-3-11(7-18)4-6-12/h3-6,8,18H,7H2,1-2H3
InChIKeyHOJUOGXRSQIONC-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.59
Rot. Bonds3

About [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol

[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 78906950) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
PubChem CID78906950
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
SMILESCc1sc2ncnc(Oc3ccc(CO)cc3)c2c1C
InChIInChI=1S/C15H14N2O2S/c1-9-10(2)20-15-13(9)14(16-8-17-15)19-12-5-3-11(7-18)4-6-12/h3-6,8,18H,7H2,1-2H3
InChIKeyHOJUOGXRSQIONC-UHFFFAOYSA-N
XLogP3.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetonitrile
CID 9108653
1-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 9212485
4-[4-[2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2238945
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
CID 63850530
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
CID 9250705
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
CID 2694891
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115
5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2132427

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol (CID 78906950) is [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol is Cc1sc2ncnc(Oc3ccc(CO)cc3)c2c1C.
What is the InChIKey of [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is HOJUOGXRSQIONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-10(2)20-15-13(9)14(16-8-17-15)19-12-5-3-11(7-18)4-6-12/h3-6,8,18H,7H2,1-2H3.
What are the key properties of [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol?
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 286.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 78906950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).