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

C13H16FN5O2 — CID 80664063

IUPAC5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C13H16FN5O2/c1-3-4-15-10-5-8(2)16-11(17-10)7-19-6-9(14)12(20)18-13(19)21/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)(H,18,20,21)
InChIKeyKHNNZTMTJHAZPL-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.64
Rot. Bonds5

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

5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80664063) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80664063
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C13H16FN5O2/c1-3-4-15-10-5-8(2)16-11(17-10)7-19-6-9(14)12(20)18-13(19)21/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)(H,18,20,21)
InChIKeyKHNNZTMTJHAZPL-UHFFFAOYSA-N
XLogP0.64
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.64
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-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione (CID 80664063) is 5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione is CCCNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is KHNNZTMTJHAZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-3-4-15-10-5-8(2)16-11(17-10)7-19-6-9(14)12(20)18-13(19)21/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)(H,18,20,21).
What are the key properties of 5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 293.30 g/mol, XLogP of 0.64, 5 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-(propylamino)pyrimidin-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80664063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).