2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione

C10H14FN3O2 — CID 80550752

IUPAC2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESNC1(C2=NC(=O)C(F)C(=O)N2)CCCCC1
InChIInChI=1S/C10H14FN3O2/c11-6-7(15)13-9(14-8(6)16)10(12)4-2-1-3-5-10/h6H,1-5,12H2,(H,13,14,15,16)
InChIKeyFNIDHFKPYKHSII-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.04
Rot. Bonds1

About 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione

2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione (PubChem CID 80550752) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione
PubChem CID80550752
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESNC1(C2=NC(=O)C(F)C(=O)N2)CCCCC1
InChIInChI=1S/C10H14FN3O2/c11-6-7(15)13-9(14-8(6)16)10(12)4-2-1-3-5-10/h6H,1-5,12H2,(H,13,14,15,16)
InChIKeyFNIDHFKPYKHSII-UHFFFAOYSA-N
XLogP0.04
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione (CID 80550752) is 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione is NC1(C2=NC(=O)C(F)C(=O)N2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The InChIKey is FNIDHFKPYKHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-6-7(15)13-9(14-8(6)16)10(12)4-2-1-3-5-10/h6H,1-5,12H2,(H,13,14,15,16).
What are the key properties of 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione?
2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione has a molecular weight of 227.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).