2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine

C8H13FN2 — CID 150466172

IUPAC2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine
SMILESCC1=NC(F)N(C)C(C)=C1C
InChIInChI=1S/C8H13FN2/c1-5-6(2)10-8(9)11(4)7(5)3/h8H,1-4H3
InChIKeyHQVCJFKMPOPOFB-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.94
Rot. Bonds

About 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine

2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine (PubChem CID 150466172) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine.

Molecular Properties

Compound Name2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine
PubChem CID150466172
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine
SMILESCC1=NC(F)N(C)C(C)=C1C
InChIInChI=1S/C8H13FN2/c1-5-6(2)10-8(9)11(4)7(5)3/h8H,1-4H3
InChIKeyHQVCJFKMPOPOFB-UHFFFAOYSA-N
XLogP1.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine?
The IUPAC name of 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine (CID 150466172) is 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine.
What is the SMILES notation for 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine?
The canonical SMILES for 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine is CC1=NC(F)N(C)C(C)=C1C.
What is the InChIKey of 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine?
The InChIKey is HQVCJFKMPOPOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-5-6(2)10-8(9)11(4)7(5)3/h8H,1-4H3.
What are the key properties of 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine?
2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine has a molecular weight of 156.20 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine is sourced from PubChem (CID 150466172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).