3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione

C15H18FN3O2 — CID 106933940

IUPAC3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(F)ccc1Cn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C15H18FN3O2/c1-11-9-13(16)4-3-12(11)10-18-8-5-14(20)19(15(18)21)7-2-6-17/h3-5,8-9H,2,6-7,10,17H2,1H3
InChIKeyWRWMKQIGHCXQCY-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.85
Rot. Bonds5

About 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione

3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 106933940) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID106933940
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(F)ccc1Cn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C15H18FN3O2/c1-11-9-13(16)4-3-12(11)10-18-8-5-14(20)19(15(18)21)7-2-6-17/h3-5,8-9H,2,6-7,10,17H2,1H3
InChIKeyWRWMKQIGHCXQCY-UHFFFAOYSA-N
XLogP0.85
TPSA70.02 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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-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

3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 106933888
3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
CID 54254183
3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 106933750
3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 64770001
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 105375307

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione (CID 106933940) is 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione is Cc1cc(F)ccc1Cn1ccc(=O)n(CCCN)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is WRWMKQIGHCXQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-11-9-13(16)4-3-12(11)10-18-8-5-14(20)19(15(18)21)7-2-6-17/h3-5,8-9H,2,6-7,10,17H2,1H3.
What are the key properties of 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 291.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106933940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).