ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate

C19H14Cl2N2O3 — CID 1474619

IUPACethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H14Cl2N2O3/c1-2-25-19(24)14-11-22-17(12-6-4-3-5-7-12)23-18(14)26-13-8-9-15(20)16(21)10-13/h3-11H,2H2,1H3
InChIKeyFNZTWTLUGJRICZ-UHFFFAOYSA-N
MW389.24 g/mol
LogP5.42
Rot. Bonds5

About ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate

ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate (PubChem CID 1474619) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate
PubChem CID1474619
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Nameethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H14Cl2N2O3/c1-2-25-19(24)14-11-22-17(12-6-4-3-5-7-12)23-18(14)26-13-8-9-15(20)16(21)10-13/h3-11H,2H2,1H3
InChIKeyFNZTWTLUGJRICZ-UHFFFAOYSA-N
XLogP5.42
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.24
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate (CID 1474619) is ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate?
The InChIKey is FNZTWTLUGJRICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c1-2-25-19(24)14-11-22-17(12-6-4-3-5-7-12)23-18(14)26-13-8-9-15(20)16(21)10-13/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate?
ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate has a molecular weight of 389.24 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenoxy)-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 1474619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).