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

C14H15FN2O2 — CID 63812060

IUPAC3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C14H15FN2O2/c1-2-7-16-8-6-13(18)17(14(16)19)10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyJIFYVRXBSNOMOV-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.61
Rot. Bonds4

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

3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63812060) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID63812060
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C14H15FN2O2/c1-2-7-16-8-6-13(18)17(14(16)19)10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyJIFYVRXBSNOMOV-UHFFFAOYSA-N
XLogP1.61
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione (CID 63812060) is 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is JIFYVRXBSNOMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-7-16-8-6-13(18)17(14(16)19)10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 262.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63812060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).