5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine

C6H11FN2 — CID 162353023

IUPAC5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine
SMILESCN1C=C(F)CN(C)C1
InChIInChI=1S/C6H11FN2/c1-8-3-6(7)4-9(2)5-8/h3H,4-5H2,1-2H3
InChIKeyXRJXPEZXCGVWGU-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.63
Rot. Bonds

About 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine

5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine (PubChem CID 162353023) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine
PubChem CID162353023
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine
SMILESCN1C=C(F)CN(C)C1
InChIInChI=1S/C6H11FN2/c1-8-3-6(7)4-9(2)5-8/h3H,4-5H2,1-2H3
InChIKeyXRJXPEZXCGVWGU-UHFFFAOYSA-N
XLogP0.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine?
The IUPAC name of 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine (CID 162353023) is 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine?
The canonical SMILES for 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine is CN1C=C(F)CN(C)C1.
What is the InChIKey of 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine?
The InChIKey is XRJXPEZXCGVWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-8-3-6(7)4-9(2)5-8/h3H,4-5H2,1-2H3.
What are the key properties of 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine?
5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine has a molecular weight of 130.17 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-2,4-dihydropyrimidine is sourced from PubChem (CID 162353023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).