6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H18FN3O2 — CID 43233517

IUPAC6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCCc2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H18FN3O2/c1-18-13(9-14(20)19(2)15(18)21)10-17-8-7-11-3-5-12(16)6-4-11/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyWBOWXTMVPVZDCY-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.56
Rot. Bonds5

About 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43233517) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43233517
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCCc2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H18FN3O2/c1-18-13(9-14(20)19(2)15(18)21)10-17-8-7-11-3-5-12(16)6-4-11/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyWBOWXTMVPVZDCY-UHFFFAOYSA-N
XLogP0.56
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[(4-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233503
1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione
CID 113465620
1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 106399805
6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233511
6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 113450124
6-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 106310313
1,3-dimethyl-6-[[(5-methylthiophen-2-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 55021421
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide
CID 43664954
1,3-dimethyl-6-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrimidine-2,4-dione
CID 62322141
6-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione
CID 10059913
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43233517) is 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCCc2ccc(F)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WBOWXTMVPVZDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-18-13(9-14(20)19(2)15(18)21)10-17-8-7-11-3-5-12(16)6-4-11/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 291.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43233517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).