3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione

C14H16FN3O2 — CID 64770001

IUPAC3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ccc(F)cc2N)c1=O
InChIInChI=1S/C14H16FN3O2/c1-2-6-17-7-5-13(19)18(14(17)20)9-10-3-4-11(15)8-12(10)16/h3-5,7-8H,2,6,9,16H2,1H3
InChIKeyILTRHHKQAMKEIH-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.19
Rot. Bonds4

About 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione

3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 64770001) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID64770001
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ccc(F)cc2N)c1=O
InChIInChI=1S/C14H16FN3O2/c1-2-6-17-7-5-13(19)18(14(17)20)9-10-3-4-11(15)8-12(10)16/h3-5,7-8H,2,6,9,16H2,1H3
InChIKeyILTRHHKQAMKEIH-UHFFFAOYSA-N
XLogP1.19
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione (CID 64770001) is 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2ccc(F)cc2N)c1=O.
What is the InChIKey of 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is ILTRHHKQAMKEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-6-17-7-5-13(19)18(14(17)20)9-10-3-4-11(15)8-12(10)16/h3-5,7-8H,2,6,9,16H2,1H3.
What are the key properties of 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 277.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 64770001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).