3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol

C16H10N2O2S — CID 60871060

IUPAC3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol
SMILESOc1cc2ccccc2cc1Oc1ncnc2sccc12
InChIInChI=1S/C16H10N2O2S/c19-13-7-10-3-1-2-4-11(10)8-14(13)20-15-12-5-6-21-16(12)18-9-17-15/h1-9,19H
InChIKeyZBVRNJZMJMQIGV-UHFFFAOYSA-N
MW294.34 g/mol
LogP4.34
Rot. Bonds2

About 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol

3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol (PubChem CID 60871060) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol.

Molecular Properties

Compound Name3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol
PubChem CID60871060
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol
SMILESOc1cc2ccccc2cc1Oc1ncnc2sccc12
InChIInChI=1S/C16H10N2O2S/c19-13-7-10-3-1-2-4-11(10)8-14(13)20-15-12-5-6-21-16(12)18-9-17-15/h1-9,19H
InChIKeyZBVRNJZMJMQIGV-UHFFFAOYSA-N
XLogP4.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-thieno[2,3-d]pyrimidin-4-yloxybenzaldehyde
CID 4841673
3-(1,3-thiazol-2-yloxy)naphthalen-2-ol
CID 60870488
4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine
CID 51112668
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine
CID 23156574
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 63181014
3-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395660
2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 107672534
N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetamide
CID 8933027
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395853
N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine
CID 106486840

Frequently Asked Questions

What is the IUPAC name of 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol?
The IUPAC name of 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol (CID 60871060) is 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol.
What is the SMILES notation for 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol?
The canonical SMILES for 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol is Oc1cc2ccccc2cc1Oc1ncnc2sccc12.
What is the InChIKey of 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol?
The InChIKey is ZBVRNJZMJMQIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-13-7-10-3-1-2-4-11(10)8-14(13)20-15-12-5-6-21-16(12)18-9-17-15/h1-9,19H.
What are the key properties of 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol?
3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol has a molecular weight of 294.34 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol is sourced from PubChem (CID 60871060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).