5-fluoro-1,3-dihexylpyrimidine-2,4-dione

C16H27FN2O2 — CID 130246409

IUPAC5-fluoro-1,3-dihexylpyrimidine-2,4-dione
SMILESCCCCCCn1cc(F)c(=O)n(CCCCCC)c1=O
InChIInChI=1S/C16H27FN2O2/c1-3-5-7-9-11-18-13-14(17)15(20)19(16(18)21)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyUISRLVHFHGWAJZ-UHFFFAOYSA-N
MW298.40 g/mol
LogP3.31
Rot. Bonds10

About 5-fluoro-1,3-dihexylpyrimidine-2,4-dione

5-fluoro-1,3-dihexylpyrimidine-2,4-dione (PubChem CID 130246409) has the molecular formula C16H27FN2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 5-fluoro-1,3-dihexylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1,3-dihexylpyrimidine-2,4-dione
PubChem CID130246409
Molecular FormulaC16H27FN2O2
Molecular Weight298.40 g/mol
Exact Mass298.21
IUPAC Name5-fluoro-1,3-dihexylpyrimidine-2,4-dione
SMILESCCCCCCn1cc(F)c(=O)n(CCCCCC)c1=O
InChIInChI=1S/C16H27FN2O2/c1-3-5-7-9-11-18-13-14(17)15(20)19(16(18)21)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyUISRLVHFHGWAJZ-UHFFFAOYSA-N
XLogP3.31
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-1,3-dihexylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carmofur
CID 2577
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-octyl-2,4-dioxo-
CID 116543
5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654966
3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654968
11,23-Difluoro-1,9,13,21-tetrazatricyclo[19.3.1.19,13]hexacosa-11,22-diene-10,24,25,26-tetrone
CID 382107
5-fluoro-1,3-diisobutyl-2,4(1H,3H)-pyrimidinedione
CID 748595
Hexylcarbamoylfluorouracil
CID 69396265
5-Fluoro-1-hexylpyrimidine-2,4-dione
CID 69888564
5-Fluoro-1,3-dipentylpyrimidine-2,4(1H,3H)-dione
CID 15579796
5-Fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione
CID 130246361
5-Fluoro-1,3-dioctylpyrimidine-2,4-dione
CID 130246420
5-Fluoro-1-heptanoyl-3-methylpyrimidine-2,4-dione
CID 130246503

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dihexylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1,3-dihexylpyrimidine-2,4-dione (CID 130246409) is 5-fluoro-1,3-dihexylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1,3-dihexylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1,3-dihexylpyrimidine-2,4-dione is CCCCCCn1cc(F)c(=O)n(CCCCCC)c1=O.
What is the InChIKey of 5-fluoro-1,3-dihexylpyrimidine-2,4-dione?
The InChIKey is UISRLVHFHGWAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O2/c1-3-5-7-9-11-18-13-14(17)15(20)19(16(18)21)12-10-8-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 5-fluoro-1,3-dihexylpyrimidine-2,4-dione?
5-fluoro-1,3-dihexylpyrimidine-2,4-dione has a molecular weight of 298.40 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dihexylpyrimidine-2,4-dione is sourced from PubChem (CID 130246409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).