N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine

C13H20FN3O2 — CID 122561710

IUPACN-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCCOC2CCCC2)ncc1F
InChIInChI=1S/C13H20FN3O2/c1-18-12-11(14)9-16-13(17-12)15-7-4-8-19-10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyWEJQKYDLCALOJG-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.39
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine

N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 122561710) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID122561710
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC NameN-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCCOC2CCCC2)ncc1F
InChIInChI=1S/C13H20FN3O2/c1-18-12-11(14)9-16-13(17-12)15-7-4-8-19-10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyWEJQKYDLCALOJG-UHFFFAOYSA-N
XLogP2.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine (CID 122561710) is N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine is COc1nc(NCCCOC2CCCC2)ncc1F.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is WEJQKYDLCALOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-18-12-11(14)9-16-13(17-12)15-7-4-8-19-10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,15,16,17).
What are the key properties of N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine?
N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 269.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 122561710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).