cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate

C19H18N2O4S — CID 67873422

IUPACcyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(OC1CCCCC1)c1sc2nc(Oc3ccccc3)ncc2c1O
InChIInChI=1S/C19H18N2O4S/c22-15-14-11-20-19(25-13-9-5-2-6-10-13)21-17(14)26-16(15)18(23)24-12-7-3-1-4-8-12/h2,5-6,9-12,22H,1,3-4,7-8H2
InChIKeyHFPAXDSZODZVFJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.68
Rot. Bonds4

About cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate

cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 67873422) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID67873422
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namecyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(OC1CCCCC1)c1sc2nc(Oc3ccccc3)ncc2c1O
InChIInChI=1S/C19H18N2O4S/c22-15-14-11-20-19(25-13-9-5-2-6-10-13)21-17(14)26-16(15)18(23)24-12-7-3-1-4-8-12/h2,5-6,9-12,22H,1,3-4,7-8H2
InChIKeyHFPAXDSZODZVFJ-UHFFFAOYSA-N
XLogP4.68
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate (CID 67873422) is cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate is O=C(OC1CCCCC1)c1sc2nc(Oc3ccccc3)ncc2c1O.
What is the InChIKey of cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HFPAXDSZODZVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c22-15-14-11-20-19(25-13-9-5-2-6-10-13)21-17(14)26-16(15)18(23)24-12-7-3-1-4-8-12/h2,5-6,9-12,22H,1,3-4,7-8H2.
What are the key properties of cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate?
cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 67873422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).