5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine

C5H9FN2 — CID 58719934

IUPAC5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine
SMILESCC1=NCC(F)CN1
InChIInChI=1S/C5H9FN2/c1-4-7-2-5(6)3-8-4/h5H,2-3H2,1H3,(H,7,8)
InChIKeyLXEFOKPPQDJGKA-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.35
Rot. Bonds

About 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine

5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 58719934) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine
PubChem CID58719934
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine
SMILESCC1=NCC(F)CN1
InChIInChI=1S/C5H9FN2/c1-4-7-2-5(6)3-8-4/h5H,2-3H2,1H3,(H,7,8)
InChIKeyLXEFOKPPQDJGKA-UHFFFAOYSA-N
XLogP0.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine (CID 58719934) is 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine is CC1=NCC(F)CN1.
What is the InChIKey of 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is LXEFOKPPQDJGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c1-4-7-2-5(6)3-8-4/h5H,2-3H2,1H3,(H,7,8).
What are the key properties of 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine?
5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 116.14 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 58719934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).