5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine

C11H16FN3O — CID 103082159

IUPAC5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine
SMILESCOC1CCC(Nc2ncnc(C)c2F)C1
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-8-3-4-9(5-8)16-2/h6,8-9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyKWUFQHLMXLDCGF-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.90
Rot. Bonds3

About 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine

5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine (PubChem CID 103082159) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine
PubChem CID103082159
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine
SMILESCOC1CCC(Nc2ncnc(C)c2F)C1
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-8-3-4-9(5-8)16-2/h6,8-9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyKWUFQHLMXLDCGF-UHFFFAOYSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine (CID 103082159) is 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine is COC1CCC(Nc2ncnc(C)c2F)C1.
What is the InChIKey of 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine?
The InChIKey is KWUFQHLMXLDCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-8-3-4-9(5-8)16-2/h6,8-9H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine?
5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine has a molecular weight of 225.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methoxycyclopentyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103082159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).