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

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Related Compounds

2-Methyl-1,4,5,6-tetrahydropyrimidine
CID 2771917
2-(Propan-2-yl)-1,4,5,6-tetrahydropyrimidine
CID 12868377
2-Ethyl-1,4,5,6-tetrahydropyrimidine
CID 21290279
N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide
CID 13377748
N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428642
N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 18428643
5-Fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine
CID 58719934
5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 58801089
5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine
CID 58801098
6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine
CID 59482059
2-Methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
CID 89068401
2-(2,2,3,3-Tetrafluoropropyl)-1,4,5,6-tetrahydropyrimidine
CID 89645915

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).