ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate

C13H20N2O3 — CID 102972907

IUPACethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(C)OC)nc1CC
InChIInChI=1S/C13H20N2O3/c1-5-11-10(13(16)18-6-2)8-14-12(15-11)7-9(3)17-4/h8-9H,5-7H2,1-4H3
InChIKeyNYDKFBDFWYMQPB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.79
Rot. Bonds6

About ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate

ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate (PubChem CID 102972907) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
PubChem CID102972907
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(C)OC)nc1CC
InChIInChI=1S/C13H20N2O3/c1-5-11-10(13(16)18-6-2)8-14-12(15-11)7-9(3)17-4/h8-9H,5-7H2,1-4H3
InChIKeyNYDKFBDFWYMQPB-UHFFFAOYSA-N
XLogP1.79
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
CID 102972748
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-(chloromethyl)-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 102973414
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
ethyl 4-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylate
CID 102972902
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 102972840
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 4-(chloromethyl)-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973418
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate (CID 102972907) is ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC(C)OC)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate?
The InChIKey is NYDKFBDFWYMQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-11-10(13(16)18-6-2)8-14-12(15-11)7-9(3)17-4/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate?
ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102972907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).