ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate

C14H21N3O3 — CID 114796286

IUPACethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(OCCC2CCNC2)nc1C
InChIInChI=1S/C14H21N3O3/c1-3-19-13(18)12-9-16-14(17-10(12)2)20-7-5-11-4-6-15-8-11/h9,11,15H,3-8H2,1-2H3
InChIKeyDZVBQZFKTXGHSI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds6

About ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate (PubChem CID 114796286) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate
PubChem CID114796286
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(OCCC2CCNC2)nc1C
InChIInChI=1S/C14H21N3O3/c1-3-19-13(18)12-9-16-14(17-10(12)2)20-7-5-11-4-6-15-8-11/h9,11,15H,3-8H2,1-2H3
InChIKeyDZVBQZFKTXGHSI-UHFFFAOYSA-N
XLogP1.34
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate
CID 2737153
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
CID 21220624
5-Pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CID 459813
Ethyl 2,4-dimethylpyrimidine-5-carboxylate
CID 295888
Ethyl 2-bromo-4-methylpyrimidine-5-carboxylate
CID 83180811
Ethyl 2-(dimethylamino)-4-methylpyrimidine-5-carboxylate
CID 44347430
Ethyl 2-(carbamothioylamino)-4-methylpyrimidine-5-carboxylate
CID 117588699
Ethyl 4-methyl-2-(piperidin-1-yl)pyrimidine-5-carboxylate
CID 17121383
Methyl 2-amino-4-methylpyrimidine-5-carboxylate
CID 33702269
Ethyl 4-(chloromethyl)-2-(methylamino)pyrimidine-5-carboxylate
CID 102973317
Ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 20855128
Ethyl 2-azido-4-methylpyrimidine-5-carboxylate
CID 83180975

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate (CID 114796286) is ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(OCCC2CCNC2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate?
The InChIKey is DZVBQZFKTXGHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-19-13(18)12-9-16-14(17-10(12)2)20-7-5-11-4-6-15-8-11/h9,11,15H,3-8H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(2-pyrrolidin-3-ylethoxy)pyrimidine-5-carboxylate is sourced from PubChem (CID 114796286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).