2,2-difluoro-1,3-dimethyl-4H-pyrimidine

C6H10F2N2 — CID 22987208

IUPAC2,2-difluoro-1,3-dimethyl-4H-pyrimidine
SMILESCN1C=CCN(C)C1(F)F
InChIInChI=1S/C6H10F2N2/c1-9-4-3-5-10(2)6(9,7)8/h3-4H,5H2,1-2H3
InChIKeyYNPHRIZORYWNQX-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.93
Rot. Bonds

About 2,2-difluoro-1,3-dimethyl-4H-pyrimidine

2,2-difluoro-1,3-dimethyl-4H-pyrimidine (PubChem CID 22987208) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,2-difluoro-1,3-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-dimethyl-4H-pyrimidine
PubChem CID22987208
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2,2-difluoro-1,3-dimethyl-4H-pyrimidine
SMILESCN1C=CCN(C)C1(F)F
InChIInChI=1S/C6H10F2N2/c1-9-4-3-5-10(2)6(9,7)8/h3-4H,5H2,1-2H3
InChIKeyYNPHRIZORYWNQX-UHFFFAOYSA-N
XLogP0.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-1,3-dimethyl-4H-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 2,2-difluoro-1,3-dimethyl-4H-pyrimidine?
The IUPAC name of 2,2-difluoro-1,3-dimethyl-4H-pyrimidine (CID 22987208) is 2,2-difluoro-1,3-dimethyl-4H-pyrimidine.
What is the SMILES notation for 2,2-difluoro-1,3-dimethyl-4H-pyrimidine?
The canonical SMILES for 2,2-difluoro-1,3-dimethyl-4H-pyrimidine is CN1C=CCN(C)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-dimethyl-4H-pyrimidine?
The InChIKey is YNPHRIZORYWNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-9-4-3-5-10(2)6(9,7)8/h3-4H,5H2,1-2H3.
What are the key properties of 2,2-difluoro-1,3-dimethyl-4H-pyrimidine?
2,2-difluoro-1,3-dimethyl-4H-pyrimidine has a molecular weight of 148.16 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-dimethyl-4H-pyrimidine is sourced from PubChem (CID 22987208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).