ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate

C14H22N2O2 — CID 14718691

IUPACethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate
SMILESCCOC(=O)C(CC)c1cnc(C(C)(C)C)nc1
InChIInChI=1S/C14H22N2O2/c1-6-11(12(17)18-7-2)10-8-15-13(16-9-10)14(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyNTEWKCYQURHBMH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.83
Rot. Bonds4

About ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate

ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate (PubChem CID 14718691) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate
PubChem CID14718691
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate
SMILESCCOC(=O)C(CC)c1cnc(C(C)(C)C)nc1
InChIInChI=1S/C14H22N2O2/c1-6-11(12(17)18-7-2)10-8-15-13(16-9-10)14(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyNTEWKCYQURHBMH-UHFFFAOYSA-N
XLogP2.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester
CID 26604
Ethyl 2-(2-chloropyrimidin-5-yl)acetate
CID 57443497
Methyl 2-(pyrimidin-5-yl)acetate
CID 75488077
1,3-Diethyl2-(pyrimidin-5-yl)propanedioate
CID 62490513
Ethyl (pyrimidin-5-yl)acetate
CID 21471619
ethyl (RS)-2-[2-(2-methylprop-2-yl)-4-fluoropyrimidin-5-yl]-3-methylbutyrate
CID 13911487
Ethyl 3,3-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoate
CID 14718715
Methyl 2-(2-tert-butylpyrimidin-5-yl)-3,3,3-trifluoropropanoate
CID 14718741
3-Methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 14718748
3,3-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pentanoic acid
CID 20060707
2-(2-Tert-butylpyrimidin-5-yl)-3,3,3-trifluoropropanoic acid
CID 20060711
3,3-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 20060749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate?
The IUPAC name of ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate (CID 14718691) is ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate?
The canonical SMILES for ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate is CCOC(=O)C(CC)c1cnc(C(C)(C)C)nc1.
What is the InChIKey of ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate?
The InChIKey is NTEWKCYQURHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-11(12(17)18-7-2)10-8-15-13(16-9-10)14(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate?
ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate has a molecular weight of 250.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-tert-butylpyrimidin-5-yl)butanoate is sourced from PubChem (CID 14718691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).