2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine

C6H10F2N2 — CID 139430227

IUPAC2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine
SMILESCCC1=NCC(F)(F)CN1
InChIInChI=1S/C6H10F2N2/c1-2-5-9-3-6(7,8)4-10-5/h2-4H2,1H3,(H,9,10)
InChIKeyHQCXKINVHHZFKL-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.03
Rot. Bonds1

About 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine

2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine (PubChem CID 139430227) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine
PubChem CID139430227
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine
SMILESCCC1=NCC(F)(F)CN1
InChIInChI=1S/C6H10F2N2/c1-2-5-9-3-6(7,8)4-10-5/h2-4H2,1H3,(H,9,10)
InChIKeyHQCXKINVHHZFKL-UHFFFAOYSA-N
XLogP1.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5,5-difluoro-4,6-dihydro-1H-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-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine (CID 139430227) is 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine is CCC1=NCC(F)(F)CN1.
What is the InChIKey of 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine?
The InChIKey is HQCXKINVHHZFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-2-5-9-3-6(7,8)4-10-5/h2-4H2,1H3,(H,9,10).
What are the key properties of 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine?
2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine has a molecular weight of 148.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 139430227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).