1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea

C15H17FN4O2 — CID 121121395

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cncn(CCNC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H17FN4O2/c1-11-8-17-10-20(14(11)21)7-6-18-15(22)19-9-12-2-4-13(16)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H2,18,19,22)
InChIKeyDEHVZQDWIGXOAI-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.19
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea

1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121121395) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121121395
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cncn(CCNC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H17FN4O2/c1-11-8-17-10-20(14(11)21)7-6-18-15(22)19-9-12-2-4-13(16)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H2,18,19,22)
InChIKeyDEHVZQDWIGXOAI-UHFFFAOYSA-N
XLogP1.19
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea 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

1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
CID 121121413
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121121360
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
1-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20975005
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 119099509
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea (CID 121121395) is 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea is Cc1cncn(CCNC(=O)NCc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is DEHVZQDWIGXOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-11-8-17-10-20(14(11)21)7-6-18-15(22)19-9-12-2-4-13(16)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 304.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121121395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).