5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane

C7H14F2N2 — CID 156753723

IUPAC5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane
SMILESCC.CC1=NCC(F)(F)CN1
InChIInChI=1S/C5H8F2N2.C2H6/c1-4-8-2-5(6,7)3-9-4;1-2/h2-3H2,1H3,(H,8,9);1-2H3
InChIKeyARFXBUGWEMBVQI-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.67
Rot. Bonds

About 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane

5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane (PubChem CID 156753723) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane
PubChem CID156753723
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane
SMILESCC.CC1=NCC(F)(F)CN1
InChIInChI=1S/C5H8F2N2.C2H6/c1-4-8-2-5(6,7)3-9-4;1-2/h2-3H2,1H3,(H,8,9);1-2H3
InChIKeyARFXBUGWEMBVQI-UHFFFAOYSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane?
The IUPAC name of 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane (CID 156753723) is 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane.
What is the SMILES notation for 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane?
The canonical SMILES for 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane is CC.CC1=NCC(F)(F)CN1.
What is the InChIKey of 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane?
The InChIKey is ARFXBUGWEMBVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2.C2H6/c1-4-8-2-5(6,7)3-9-4;1-2/h2-3H2,1H3,(H,8,9);1-2H3.
What are the key properties of 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane?
5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane has a molecular weight of 164.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane is sourced from PubChem (CID 156753723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).