5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine

C18H20FN3O2 — CID 137341730

IUPAC5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine
SMILESCOc1nc(NC2CC3(CCCC3)Oc3ccccc32)ncc1F
InChIInChI=1S/C18H20FN3O2/c1-23-16-13(19)11-20-17(22-16)21-14-10-18(8-4-5-9-18)24-15-7-3-2-6-12(14)15/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21,22)
InChIKeyUWHSWIYSVOKJCQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.87
Rot. Bonds3

About 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine

5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine (PubChem CID 137341730) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine
PubChem CID137341730
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine
SMILESCOc1nc(NC2CC3(CCCC3)Oc3ccccc32)ncc1F
InChIInChI=1S/C18H20FN3O2/c1-23-16-13(19)11-20-17(22-16)21-14-10-18(8-4-5-9-18)24-15-7-3-2-6-12(14)15/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21,22)
InChIKeyUWHSWIYSVOKJCQ-UHFFFAOYSA-N
XLogP3.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine (CID 137341730) is 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine is COc1nc(NC2CC3(CCCC3)Oc3ccccc32)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine?
The InChIKey is UWHSWIYSVOKJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-23-16-13(19)11-20-17(22-16)21-14-10-18(8-4-5-9-18)24-15-7-3-2-6-12(14)15/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21,22).
What are the key properties of 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine?
5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine has a molecular weight of 329.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpyrimidin-2-amine is sourced from PubChem (CID 137341730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).