ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate

C15H14Cl2N2O2 — CID 107918029

IUPACethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)nc1CC
InChIInChI=1S/C15H14Cl2N2O2/c1-3-13-12(15(20)21-4-2)8-18-14(19-13)9-5-10(16)7-11(17)6-9/h5-8H,3-4H2,1-2H3
InChIKeyISBZBVKFAPKYOI-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.19
Rot. Bonds4

About ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate

ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate (PubChem CID 107918029) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
PubChem CID107918029
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Nameethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)nc1CC
InChIInChI=1S/C15H14Cl2N2O2/c1-3-13-12(15(20)21-4-2)8-18-14(19-13)9-5-10(16)7-11(17)6-9/h5-8H,3-4H2,1-2H3
InChIKeyISBZBVKFAPKYOI-UHFFFAOYSA-N
XLogP4.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 102972874
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
ethyl 2-(5-bromo-3-pyridinyl)-4-(chloromethyl)pyrimidine-5-carboxylate
CID 102973426
2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
CID 107918025
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
ethyl 2-(5-bromo-3-pyridinyl)-4-chloropyrimidine-5-carboxylate
CID 114213781
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010
ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107923921
ethyl 2-(3-bromo-2-pyridinyl)-4-ethylpyrimidine-5-carboxylate
CID 102972858
ethyl 4-(chloromethyl)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 102973435
ethyl 4-(chloromethyl)-2-(furan-3-yl)pyrimidine-5-carboxylate
CID 102973339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate (CID 107918029) is ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)nc1CC.
What is the InChIKey of ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate?
The InChIKey is ISBZBVKFAPKYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-3-13-12(15(20)21-4-2)8-18-14(19-13)9-5-10(16)7-11(17)6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate?
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate has a molecular weight of 325.20 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 107918029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).