1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol

C12H18FN3O2 — CID 131897496

IUPAC1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol
SMILESCOc1nc(NCCC2(O)CCCC2)ncc1F
InChIInChI=1S/C12H18FN3O2/c1-18-10-9(13)8-15-11(16-10)14-7-6-12(17)4-2-3-5-12/h8,17H,2-7H2,1H3,(H,14,15,16)
InChIKeyWVRAGMISLPVQDE-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol

1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol (PubChem CID 131897496) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol
PubChem CID131897496
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol
SMILESCOc1nc(NCCC2(O)CCCC2)ncc1F
InChIInChI=1S/C12H18FN3O2/c1-18-10-9(13)8-15-11(16-10)14-7-6-12(17)4-2-3-5-12/h8,17H,2-7H2,1H3,(H,14,15,16)
InChIKeyWVRAGMISLPVQDE-UHFFFAOYSA-N
XLogP1.73
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol (CID 131897496) is 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol is COc1nc(NCCC2(O)CCCC2)ncc1F.
What is the InChIKey of 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol?
The InChIKey is WVRAGMISLPVQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-18-10-9(13)8-15-11(16-10)14-7-6-12(17)4-2-3-5-12/h8,17H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol?
1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol has a molecular weight of 255.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 131897496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).