methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate

C13H18FN3O2 — CID 103880059

IUPACmethyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCc1ncnc(N2CCCC(C(=O)OC)C2)c1F
InChIInChI=1S/C13H18FN3O2/c1-3-10-11(14)12(16-8-15-10)17-6-4-5-9(7-17)13(18)19-2/h8-9H,3-7H2,1-2H3
InChIKeyJSDDYCIDDMNNPS-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.57
Rot. Bonds3

About methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate

methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 103880059) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID103880059
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Namemethyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCc1ncnc(N2CCCC(C(=O)OC)C2)c1F
InChIInChI=1S/C13H18FN3O2/c1-3-10-11(14)12(16-8-15-10)17-6-4-5-9(7-17)13(18)19-2/h8-9H,3-7H2,1-2H3
InChIKeyJSDDYCIDDMNNPS-UHFFFAOYSA-N
XLogP1.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate 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

N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605983
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880
methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 114049878
[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434886
methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 105370413
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine
CID 133420175
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106845

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate (CID 103880059) is methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate is CCc1ncnc(N2CCCC(C(=O)OC)C2)c1F.
What is the InChIKey of methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is JSDDYCIDDMNNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-10-11(14)12(16-8-15-10)17-6-4-5-9(7-17)13(18)19-2/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate?
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 103880059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).