methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate

C14H10N2O2S — CID 151400269

IUPACmethyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2cnc(-c3ccccc3)nc2s1
InChIInChI=1S/C14H10N2O2S/c1-18-14(17)11-7-10-8-15-12(16-13(10)19-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyOWIGURVYQROZSM-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.14
Rot. Bonds2

About methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 151400269) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID151400269
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Namemethyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2cnc(-c3ccccc3)nc2s1
InChIInChI=1S/C14H10N2O2S/c1-18-14(17)11-7-10-8-15-12(16-13(10)19-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyOWIGURVYQROZSM-UHFFFAOYSA-N
XLogP3.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-phenyl-1-benzothiophene-2-carboxylate
CID 19007392
dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate
CID 139216527
methyl 6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 2323069
methyl 2-(2-methoxy-2-oxoethyl)sulfonylthieno[2,3-d]pyrimidine-6-carboxylate
CID 121414079
methyl 4-quinazolin-2-ylbenzoate
CID 156769419
methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate
CID 143138140
methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 157283516
2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 84798200
methyl 5-ethyl-4-phenylthiophene-2-carboxylate
CID 58438730
methyl 5-methylsulfanyl-4-(6-phenyl-2-pyridinyl)thiophene-2-carboxylate
CID 18536958
methyl 6-(6-methyl-3-pyridinyl)-1-benzothiophene-2-carboxylate
CID 118424914
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
CID 14871953

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate (CID 151400269) is methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2cnc(-c3ccccc3)nc2s1.
What is the InChIKey of methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is OWIGURVYQROZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-18-14(17)11-7-10-8-15-12(16-13(10)19-11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 151400269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).