ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate

C14H21N3O3 — CID 115975575

IUPACethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate
SMILESCCCOc1ccnc(N2CCCC2C(=O)OCC)n1
InChIInChI=1S/C14H21N3O3/c1-3-10-20-12-7-8-15-14(16-12)17-9-5-6-11(17)13(18)19-4-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyMFNKHRCGCAHVTO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.80
Rot. Bonds6

About ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate

ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate (PubChem CID 115975575) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate
PubChem CID115975575
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate
SMILESCCCOc1ccnc(N2CCCC2C(=O)OCC)n1
InChIInChI=1S/C14H21N3O3/c1-3-10-20-12-7-8-15-14(16-12)17-9-5-6-11(17)13(18)19-4-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyMFNKHRCGCAHVTO-UHFFFAOYSA-N
XLogP1.80
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133290040
2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638848
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
CID 114985351
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
CID 62858505
ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 66333084
1-[(2R)-2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758343
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
[6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine
CID 112638683
ethyl 1-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62004802

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate (CID 115975575) is ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate is CCCOc1ccnc(N2CCCC2C(=O)OCC)n1.
What is the InChIKey of ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is MFNKHRCGCAHVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10-20-12-7-8-15-14(16-12)17-9-5-6-11(17)13(18)19-4-2/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate?
ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115975575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).