1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol

C12H18FN3O — CID 131902405

IUPAC1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol
SMILESCN(CCC1(O)CCCC1)c1ncc(F)cn1
InChIInChI=1S/C12H18FN3O/c1-16(11-14-8-10(13)9-15-11)7-6-12(17)4-2-3-5-12/h8-9,17H,2-7H2,1H3
InChIKeyXYIPOMOZRUDTDD-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.75
Rot. Bonds4

About 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol

1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol (PubChem CID 131902405) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol
PubChem CID131902405
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol
SMILESCN(CCC1(O)CCCC1)c1ncc(F)cn1
InChIInChI=1S/C12H18FN3O/c1-16(11-14-8-10(13)9-15-11)7-6-12(17)4-2-3-5-12/h8-9,17H,2-7H2,1H3
InChIKeyXYIPOMOZRUDTDD-UHFFFAOYSA-N
XLogP1.75
TPSA49.25 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol (CID 131902405) is 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol is CN(CCC1(O)CCCC1)c1ncc(F)cn1.
What is the InChIKey of 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol?
The InChIKey is XYIPOMOZRUDTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-16(11-14-8-10(13)9-15-11)7-6-12(17)4-2-3-5-12/h8-9,17H,2-7H2,1H3.
What are the key properties of 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol?
1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoropyrimidin-2-yl)-methylamino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 131902405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).