5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C11H17F2N3O3 — CID 103081224

IUPAC5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCOCC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C11H17F2N3O3/c1-15-6-8(10(17)16(2)11(15)18)5-14-3-4-19-7-9(12)13/h6,9,14H,3-5,7H2,1-2H3
InChIKeyNAHAYEWXVMCCDX-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.54
Rot. Bonds7

About 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 103081224) has the molecular formula C11H17F2N3O3 and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID103081224
Molecular FormulaC11H17F2N3O3
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCOCC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C11H17F2N3O3/c1-15-6-8(10(17)16(2)11(15)18)5-14-3-4-19-7-9(12)13/h6,9,14H,3-5,7H2,1-2H3
InChIKeyNAHAYEWXVMCCDX-UHFFFAOYSA-N
XLogP-0.54
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
N-[[1-(2,2-diethoxyethyl)-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
CID 88974778
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanamide
CID 117958199
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 144718986
3-Ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 174884912
1,3-Dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
CID 28608755
1,3-Dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione
CID 55174552
5-Fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione
CID 55220473
5-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 61517592
1,3-Dimethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione
CID 61526469
5-Fluoro-1-[4-(2-methoxyethylamino)butyl]pyrimidine-2,4-dione
CID 63556609
5-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 64850142

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 103081224) is 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCCOCC(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NAHAYEWXVMCCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O3/c1-15-6-8(10(17)16(2)11(15)18)5-14-3-4-19-7-9(12)13/h6,9,14H,3-5,7H2,1-2H3.
What are the key properties of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 277.27 g/mol, XLogP of -0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 103081224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).