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

C5H8F2N2 — CID 58801098

IUPAC5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine
SMILESCC1=NCC(F)(F)CN1
InChIInChI=1S/C5H8F2N2/c1-4-8-2-5(6,7)3-9-4/h2-3H2,1H3,(H,8,9)
InChIKeyCDPWXBKLBLLRLH-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.64
Rot. Bonds

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

5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine (PubChem CID 58801098) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine
PubChem CID58801098
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine
SMILESCC1=NCC(F)(F)CN1
InChIInChI=1S/C5H8F2N2/c1-4-8-2-5(6,7)3-9-4/h2-3H2,1H3,(H,8,9)
InChIKeyCDPWXBKLBLLRLH-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.64
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?
The IUPAC name of 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine (CID 58801098) is 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine is CC1=NCC(F)(F)CN1.
What is the InChIKey of 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is CDPWXBKLBLLRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-4-8-2-5(6,7)3-9-4/h2-3H2,1H3,(H,8,9).
What are the key properties of 5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine?
5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 134.13 g/mol, XLogP of 0.64, 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 is sourced from PubChem (CID 58801098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).