ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate

C16H16Cl2N2O3 — CID 69318080

IUPACethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)nc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-4-22-16(21)11-8-19-14(9(2)3)20-15(11)23-13-6-5-10(17)7-12(13)18/h5-9H,4H2,1-3H3
InChIKeyBWCUZRZOBYNHIL-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.88
Rot. Bonds5

About ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate

ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 69318080) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate
PubChem CID69318080
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Nameethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)nc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-4-22-16(21)11-8-19-14(9(2)3)20-15(11)23-13-6-5-10(17)7-12(13)18/h5-9H,4H2,1-3H3
InChIKeyBWCUZRZOBYNHIL-UHFFFAOYSA-N
XLogP4.88
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (E)-3-[4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidin-5-yl]prop-2-enoate
CID 86618814
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate
CID 69318370
ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
CID 169258410
ethyl 4-(2-chlorophenoxy)-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 11856692
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]-4-propan-2-ylpyrimidine-5-carboxylate
CID 171989260
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 4269855
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010
ethyl 4-chloro-2-propan-2-yloxybenzoate
CID 164894970
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2-[1-benzyl-3-[3-[4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidin-5-yl]propoxy]pyrazol-4-yl]acetic acid
CID 69318444

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate (CID 69318080) is ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(C)C)nc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is BWCUZRZOBYNHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-4-22-16(21)11-8-19-14(9(2)3)20-15(11)23-13-6-5-10(17)7-12(13)18/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate?
ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 355.22 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 69318080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).