ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate

C23H22N2O2 — CID 175474143

IUPACethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncncc1-c1cccc2c1CCC(c1ccccc1)C2
InChIInChI=1S/C23H22N2O2/c1-2-27-23(26)22-21(14-24-15-25-22)20-10-6-9-18-13-17(11-12-19(18)20)16-7-4-3-5-8-16/h3-10,14-15,17H,2,11-13H2,1H3
InChIKeyCMBNJDMRZSIRDI-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.59
Rot. Bonds4

About ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate

ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate (PubChem CID 175474143) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate
PubChem CID175474143
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Nameethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncncc1-c1cccc2c1CCC(c1ccccc1)C2
InChIInChI=1S/C23H22N2O2/c1-2-27-23(26)22-21(14-24-15-25-22)20-10-6-9-18-13-17(11-12-19(18)20)16-7-4-3-5-8-16/h3-10,14-15,17H,2,11-13H2,1H3
InChIKeyCMBNJDMRZSIRDI-UHFFFAOYSA-N
XLogP4.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate (CID 175474143) is ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate is CCOC(=O)c1ncncc1-c1cccc2c1CCC(c1ccccc1)C2.
What is the InChIKey of ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate?
The InChIKey is CMBNJDMRZSIRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-27-23(26)22-21(14-24-15-25-22)20-10-6-9-18-13-17(11-12-19(18)20)16-7-4-3-5-8-16/h3-10,14-15,17H,2,11-13H2,1H3.
What are the key properties of ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate?
ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 175474143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).