[2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine

C12H18FN3O — CID 114045814

IUPAC[2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
SMILESCc1ncnc(OCC2CCCC2CN)c1F
InChIInChI=1S/C12H18FN3O/c1-8-11(13)12(16-7-15-8)17-6-10-4-2-3-9(10)5-14/h7,9-10H,2-6,14H2,1H3
InChIKeyDFUWOHUVDLYPCA-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.68
Rot. Bonds4

About [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine

[2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine (PubChem CID 114045814) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
PubChem CID114045814
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name[2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
SMILESCc1ncnc(OCC2CCCC2CN)c1F
InChIInChI=1S/C12H18FN3O/c1-8-11(13)12(16-7-15-8)17-6-10-4-2-3-9(10)5-14/h7,9-10H,2-6,14H2,1H3
InChIKeyDFUWOHUVDLYPCA-UHFFFAOYSA-N
XLogP1.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine (CID 114045814) is [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine is Cc1ncnc(OCC2CCCC2CN)c1F.
What is the InChIKey of [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine?
The InChIKey is DFUWOHUVDLYPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8-11(13)12(16-7-15-8)17-6-10-4-2-3-9(10)5-14/h7,9-10H,2-6,14H2,1H3.
What are the key properties of [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine?
[2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine has a molecular weight of 239.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine is sourced from PubChem (CID 114045814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).