4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane

C11H18FN3O — CID 143702965

IUPAC4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
SMILESCC.Nc1nc(=O)n(C2CCCC2)cc1F
InChIInChI=1S/C9H12FN3O.C2H6/c10-7-5-13(6-3-1-2-4-6)9(14)12-8(7)11;1-2/h5-6H,1-4H2,(H2,11,12,14);1-2H3
InChIKeyAAAOHIXIIANUEI-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.11
Rot. Bonds1

About 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane

4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane (PubChem CID 143702965) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane.

Molecular Properties

Compound Name4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
PubChem CID143702965
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
SMILESCC.Nc1nc(=O)n(C2CCCC2)cc1F
InChIInChI=1S/C9H12FN3O.C2H6/c10-7-5-13(6-3-1-2-4-6)9(14)12-8(7)11;1-2/h5-6H,1-4H2,(H2,11,12,14);1-2H3
InChIKeyAAAOHIXIIANUEI-UHFFFAOYSA-N
XLogP2.11
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane?
The IUPAC name of 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane (CID 143702965) is 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane.
What is the SMILES notation for 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane?
The canonical SMILES for 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane is CC.Nc1nc(=O)n(C2CCCC2)cc1F.
What is the InChIKey of 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane?
The InChIKey is AAAOHIXIIANUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O.C2H6/c10-7-5-13(6-3-1-2-4-6)9(14)12-8(7)11;1-2/h5-6H,1-4H2,(H2,11,12,14);1-2H3.
What are the key properties of 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane?
4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane has a molecular weight of 227.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane is sourced from PubChem (CID 143702965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).