5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione

C16H17FN2O3 — CID 3262334

IUPAC5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C16H17FN2O3/c1-11-5-2-3-6-12(11)9-19-15(20)13(17)10-18(16(19)21)14-7-4-8-22-14/h2-3,5-6,10,14H,4,7-9H2,1H3
InChIKeyJZQKKIWNWDKOKK-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.81
Rot. Bonds3

About 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione

5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 3262334) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID3262334
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C16H17FN2O3/c1-11-5-2-3-6-12(11)9-19-15(20)13(17)10-18(16(19)21)14-7-4-8-22-14/h2-3,5-6,10,14H,4,7-9H2,1H3
InChIKeyJZQKKIWNWDKOKK-UHFFFAOYSA-N
XLogP1.81
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 3262334) is 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione is Cc1ccccc1Cn1c(=O)c(F)cn(C2CCCO2)c1=O.
What is the InChIKey of 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is JZQKKIWNWDKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-11-5-2-3-6-12(11)9-19-15(20)13(17)10-18(16(19)21)14-7-4-8-22-14/h2-3,5-6,10,14H,4,7-9H2,1H3.
What are the key properties of 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 304.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 3262334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).