1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione

C11H9FN2O2 — CID 90701205

IUPAC1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)ccn(F)c1=O
InChIInChI=1S/C11H9FN2O2/c1-8-4-2-3-5-9(8)14-10(15)6-7-13(12)11(14)16/h2-7H,1H3
InChIKeyHKBFTCFCGDNRGH-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.04
Rot. Bonds1

About 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione

1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 90701205) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID90701205
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)ccn(F)c1=O
InChIInChI=1S/C11H9FN2O2/c1-8-4-2-3-5-9(8)14-10(15)6-7-13(12)11(14)16/h2-7H,1H3
InChIKeyHKBFTCFCGDNRGH-UHFFFAOYSA-N
XLogP1.04
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione (CID 90701205) is 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione is Cc1ccccc1-n1c(=O)ccn(F)c1=O.
What is the InChIKey of 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is HKBFTCFCGDNRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-8-4-2-3-5-9(8)14-10(15)6-7-13(12)11(14)16/h2-7H,1H3.
What are the key properties of 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione?
1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 220.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 90701205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).