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

C12H18N2O3 — CID 102972537

IUPACethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(C)OC)nc1C
InChIInChI=1S/C12H18N2O3/c1-5-17-12(15)10-7-13-11(14-9(10)3)6-8(2)16-4/h7-8H,5-6H2,1-4H3
InChIKeyFNRZNKAZYNURFQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.54
Rot. Bonds5

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

ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate (PubChem CID 102972537) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
PubChem CID102972537
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(C)OC)nc1C
InChIInChI=1S/C12H18N2O3/c1-5-17-12(15)10-7-13-11(14-9(10)3)6-8(2)16-4/h7-8H,5-6H2,1-4H3
InChIKeyFNRZNKAZYNURFQ-UHFFFAOYSA-N
XLogP1.54
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
CID 102972748
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102972473
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 4-(chloromethyl)-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 102973414
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111
ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
CID 102972511
ethyl 2-[(2-fluorophenyl)sulfanylmethyl]-4-methylpyrimidine-5-carboxylate
CID 102972384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate (CID 102972537) is ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC(C)OC)nc1C.
What is the InChIKey of ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is FNRZNKAZYNURFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-17-12(15)10-7-13-11(14-9(10)3)6-8(2)16-4/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).