methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate

C10H12FN3O2 — CID 112703131

IUPACmethyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H12FN3O2/c1-16-9(15)7-2-3-14(6-7)10-12-4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyOHMRLMDSRZMIFT-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.62
Rot. Bonds2

About methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate

methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate (PubChem CID 112703131) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate
PubChem CID112703131
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Namemethyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H12FN3O2/c1-16-9(15)7-2-3-14(6-7)10-12-4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyOHMRLMDSRZMIFT-UHFFFAOYSA-N
XLogP0.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Methoxymethyl)-1-(pyrimidin-2-YL)pyrrolidine-3-carboxylic acid
CID 110203474
rac-methyl (3R,4R)-4-methyl-1-[(pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylate
CID 122163407
1-((4-Amino-2-methylpyrimidin-5-yl)methyl)pyrrolidine-3-carboxylic acid
CID 166434688
Ethyl 4-(4-(5-fluoro-2-pyrimidinyl)piperazin-1-yl)butanoate
CID 15729889
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] 2-methylbutanoate
CID 57818419
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
Methyl 1-(5-bromopyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 66977211
Ethyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 70701063
Methyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 112703074
1-(5-Fluoro-2-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester
CID 113286004
2-[[1-(3-Fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine
CID 134533841
Methyl 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropanoate
CID 135382789

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate (CID 112703131) is methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is OHMRLMDSRZMIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-16-9(15)7-2-3-14(6-7)10-12-4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate?
methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 225.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112703131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).