[2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine

C11H16FN3O — CID 104606585

IUPAC[2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine
SMILESNCC1CCCC1COc1ncc(F)cn1
InChIInChI=1S/C11H16FN3O/c12-10-5-14-11(15-6-10)16-7-9-3-1-2-8(9)4-13/h5-6,8-9H,1-4,7,13H2
InChIKeyWWIPJUGNOSDDBO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.37
Rot. Bonds4

About [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine

[2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine (PubChem CID 104606585) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine
PubChem CID104606585
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name[2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine
SMILESNCC1CCCC1COc1ncc(F)cn1
InChIInChI=1S/C11H16FN3O/c12-10-5-14-11(15-6-10)16-7-9-3-1-2-8(9)4-13/h5-6,8-9H,1-4,7,13H2
InChIKeyWWIPJUGNOSDDBO-UHFFFAOYSA-N
XLogP1.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine (CID 104606585) is [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine is NCC1CCCC1COc1ncc(F)cn1.
What is the InChIKey of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine?
The InChIKey is WWIPJUGNOSDDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-10-5-14-11(15-6-10)16-7-9-3-1-2-8(9)4-13/h5-6,8-9H,1-4,7,13H2.
What are the key properties of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine?
[2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine has a molecular weight of 225.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine is sourced from PubChem (CID 104606585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).