4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one

C9H13F2N3O — CID 137009955

IUPAC4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CC(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H13F2N3O/c1-3-7-12-8(4-9(15)13-7)14(2)5-6(10)11/h4,6H,3,5H2,1-2H3,(H,12,13,15)
InChIKeyMYKMFOBCBHBPBF-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.03
Rot. Bonds4

About 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137009955) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137009955
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CC(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H13F2N3O/c1-3-7-12-8(4-9(15)13-7)14(2)5-6(10)11/h4,6H,3,5H2,1-2H3,(H,12,13,15)
InChIKeyMYKMFOBCBHBPBF-UHFFFAOYSA-N
XLogP1.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136055368
4-(difluoromethyl)-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 136103440
2-[2-(methylamino)ethyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103461
4-amino-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288760
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136728234
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736696
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136737795
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737800
2-ethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737802

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 137009955) is 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(C)CC(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is MYKMFOBCBHBPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-3-7-12-8(4-9(15)13-7)14(2)5-6(10)11/h4,6H,3,5H2,1-2H3,(H,12,13,15).
What are the key properties of 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 217.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).