1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione

C13H20FN3O2 — CID 63556806

IUPAC1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCNC2CCCCC2)cc1F
InChIInChI=1S/C13H20FN3O2/c14-11-9-17(13(19)16-12(11)18)8-4-7-15-10-5-2-1-3-6-10/h9-10,15H,1-8H2,(H,16,18,19)
InChIKeyLUGILQXTYOCYNY-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.99
Rot. Bonds5

About 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione

1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63556806) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63556806
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCNC2CCCCC2)cc1F
InChIInChI=1S/C13H20FN3O2/c14-11-9-17(13(19)16-12(11)18)8-4-7-15-10-5-2-1-3-6-10/h9-10,15H,1-8H2,(H,16,18,19)
InChIKeyLUGILQXTYOCYNY-UHFFFAOYSA-N
XLogP0.99
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione (CID 63556806) is 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCCNC2CCCCC2)cc1F.
What is the InChIKey of 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is LUGILQXTYOCYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c14-11-9-17(13(19)16-12(11)18)8-4-7-15-10-5-2-1-3-6-10/h9-10,15H,1-8H2,(H,16,18,19).
What are the key properties of 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione?
1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 269.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63556806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).