5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione

C11H12FN5O2 — CID 80654905

IUPAC5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H12FN5O2/c1-6-3-8(13-2)15-9(14-6)5-17-4-7(12)10(18)16-11(17)19/h3-4H,5H2,1-2H3,(H,13,14,15)(H,16,18,19)
InChIKeyFUWOFZPJSPTPBI-UHFFFAOYSA-N
MW265.25 g/mol
LogP-0.14
Rot. Bonds3

About 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione

5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80654905) has the molecular formula C11H12FN5O2 and a molecular weight of 265.25 g/mol. Its IUPAC name is 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80654905
Molecular FormulaC11H12FN5O2
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC Name5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H12FN5O2/c1-6-3-8(13-2)15-9(14-6)5-17-4-7(12)10(18)16-11(17)19/h3-4H,5H2,1-2H3,(H,13,14,15)(H,16,18,19)
InChIKeyFUWOFZPJSPTPBI-UHFFFAOYSA-N
XLogP-0.14
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione (CID 80654905) is 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione is CNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is FUWOFZPJSPTPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2/c1-6-3-8(13-2)15-9(14-6)5-17-4-7(12)10(18)16-11(17)19/h3-4H,5H2,1-2H3,(H,13,14,15)(H,16,18,19).
What are the key properties of 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 265.25 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80654905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).