1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one

C9H12FN3O — CID 170548952

IUPAC1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one
SMILESO=c1nc(NF)ccn1C1CCCC1
InChIInChI=1S/C9H12FN3O/c10-12-8-5-6-13(9(14)11-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,14)
InChIKeyDPKGZULVLJYEPH-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.65
Rot. Bonds2

About 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one

1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one (PubChem CID 170548952) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one
PubChem CID170548952
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one
SMILESO=c1nc(NF)ccn1C1CCCC1
InChIInChI=1S/C9H12FN3O/c10-12-8-5-6-13(9(14)11-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,14)
InChIKeyDPKGZULVLJYEPH-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one?
The IUPAC name of 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one (CID 170548952) is 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one is O=c1nc(NF)ccn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one?
The InChIKey is DPKGZULVLJYEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-12-8-5-6-13(9(14)11-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,14).
What are the key properties of 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one?
1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one has a molecular weight of 197.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(fluoroamino)pyrimidin-2-one is sourced from PubChem (CID 170548952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).