5-fluoro-2,3-dimethyl-4H-pyrimidine

C6H9FN2 — CID 129152978

IUPAC5-fluoro-2,3-dimethyl-4H-pyrimidine
SMILESCC1=NC=C(F)CN1C
InChIInChI=1S/C6H9FN2/c1-5-8-3-6(7)4-9(5)2/h3H,4H2,1-2H3
InChIKeyGSQWFHQZMJKPGD-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.16
Rot. Bonds

About 5-fluoro-2,3-dimethyl-4H-pyrimidine

5-fluoro-2,3-dimethyl-4H-pyrimidine (PubChem CID 129152978) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name5-fluoro-2,3-dimethyl-4H-pyrimidine
PubChem CID129152978
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name5-fluoro-2,3-dimethyl-4H-pyrimidine
SMILESCC1=NC=C(F)CN1C
InChIInChI=1S/C6H9FN2/c1-5-8-3-6(7)4-9(5)2/h3H,4H2,1-2H3
InChIKeyGSQWFHQZMJKPGD-UHFFFAOYSA-N
XLogP1.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dimethyl-4H-pyrimidine?
The IUPAC name of 5-fluoro-2,3-dimethyl-4H-pyrimidine (CID 129152978) is 5-fluoro-2,3-dimethyl-4H-pyrimidine.
What is the SMILES notation for 5-fluoro-2,3-dimethyl-4H-pyrimidine?
The canonical SMILES for 5-fluoro-2,3-dimethyl-4H-pyrimidine is CC1=NC=C(F)CN1C.
What is the InChIKey of 5-fluoro-2,3-dimethyl-4H-pyrimidine?
The InChIKey is GSQWFHQZMJKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5-8-3-6(7)4-9(5)2/h3H,4H2,1-2H3.
What are the key properties of 5-fluoro-2,3-dimethyl-4H-pyrimidine?
5-fluoro-2,3-dimethyl-4H-pyrimidine has a molecular weight of 128.15 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethyl-4H-pyrimidine is sourced from PubChem (CID 129152978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).