5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H18FN3O2 — CID 43565865

IUPAC5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCc2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C15H18FN3O2/c1-18-10-12(14(20)19(2)15(18)21)9-17-7-6-11-4-3-5-13(16)8-11/h3-5,8,10,17H,6-7,9H2,1-2H3
InChIKeyLSOMHWZZMRRCHL-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.56
Rot. Bonds5

About 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43565865) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43565865
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCc2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C15H18FN3O2/c1-18-10-12(14(20)19(2)15(18)21)9-17-7-6-11-4-3-5-13(16)8-11/h3-5,8,10,17H,6-7,9H2,1-2H3
InChIKeyLSOMHWZZMRRCHL-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

Mavacamten
CID 117761397
5-Benzyluracil
CID 236212
5-(Phenethylamino)uracil
CID 309182
6-amino-1-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 1409300
6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 309844
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
5-Phenyluracil
CID 287110
1-Benzyluracil
CID 237962
6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025749
6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
CID 308653
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
5-acetyl-1-benzyl-2,4(1H,3H)-pyrimidinedione
CID 3334243

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43565865) is 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCCc2cccc(F)c2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LSOMHWZZMRRCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-18-10-12(14(20)19(2)15(18)21)9-17-7-6-11-4-3-5-13(16)8-11/h3-5,8,10,17H,6-7,9H2,1-2H3.
What are the key properties of 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[2-(3-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 5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43565865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).