methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate

C11H15FN4O2 — CID 162376349

IUPACmethyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(F)c(N)n2)CC1
InChIInChI=1S/C11H15FN4O2/c1-18-10(17)7-2-4-16(5-3-7)11-14-6-8(12)9(13)15-11/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyKMZUDEZCBHNURU-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.59
Rot. Bonds2

About methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate

methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 162376349) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID162376349
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Namemethyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(F)c(N)n2)CC1
InChIInChI=1S/C11H15FN4O2/c1-18-10(17)7-2-4-16(5-3-7)11-14-6-8(12)9(13)15-11/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyKMZUDEZCBHNURU-UHFFFAOYSA-N
XLogP0.59
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate (CID 162376349) is methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ncc(F)c(N)n2)CC1.
What is the InChIKey of methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is KMZUDEZCBHNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-18-10(17)7-2-4-16(5-3-7)11-14-6-8(12)9(13)15-11/h6-7H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 254.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 162376349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).