ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate

C15H22N2O3 — CID 102972887

IUPACethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(OCC)C2CC2)nc1CC
InChIInChI=1S/C15H22N2O3/c1-4-12-11(15(18)20-6-3)9-16-14(17-12)13(19-5-2)10-7-8-10/h9-10,13H,4-8H2,1-3H3
InChIKeyHULLBRDLUXWRPZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.70
Rot. Bonds7

About ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate

ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate (PubChem CID 102972887) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate
PubChem CID102972887
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(OCC)C2CC2)nc1CC
InChIInChI=1S/C15H22N2O3/c1-4-12-11(15(18)20-6-3)9-16-14(17-12)13(19-5-2)10-7-8-10/h9-10,13H,4-8H2,1-3H3
InChIKeyHULLBRDLUXWRPZ-UHFFFAOYSA-N
XLogP2.70
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
ethyl 4-(chloromethyl)-2-(1-ethoxypropyl)pyrimidine-5-carboxylate
CID 102973408
ethyl 2-(1-methylsulfonylethyl)-4-propylpyrimidine-5-carboxylate
CID 102972679
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid
CID 116731354
ethyl 2-(1-methoxy-2-methylpropyl)-4-propylpyrimidine-5-carboxylate
CID 102972651
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
CID 116776337
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107918029
ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate (CID 102972887) is ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(OCC)C2CC2)nc1CC.
What is the InChIKey of ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate?
The InChIKey is HULLBRDLUXWRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-12-11(15(18)20-6-3)9-16-14(17-12)13(19-5-2)10-7-8-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate?
ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).