6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione

C10H13FN2O3 — CID 51038917

IUPAC6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(/C=C(/CO)CF)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+
InChIKeyNEZZLCCSEJKABY-XVNBXDOJSA-N
MW228.22 g/mol
LogP-0.27
Rot. Bonds3

About 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione

6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 51038917) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID51038917
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(/C=C(/CO)CF)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+
InChIKeyNEZZLCCSEJKABY-XVNBXDOJSA-N
XLogP-0.27
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione (CID 51038917) is 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione is Cc1c(/C=C(/CO)CF)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is NEZZLCCSEJKABY-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+.
What are the key properties of 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 228.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(fluoromethyl)-3-hydroxyprop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 51038917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).