5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione

C10H12F4N2O3 — CID 4920076

IUPAC5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
SMILESCc1cn(C(C)OCC(F)(F)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12F4N2O3/c1-5-3-16(9(18)15-7(5)17)6(2)19-4-10(13,14)8(11)12/h3,6,8H,4H2,1-2H3,(H,15,17,18)
InChIKeyKDKRKQHCAMXISM-UHFFFAOYSA-N
MW284.21 g/mol
LogP1.28
Rot. Bonds5

About 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione

5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 4920076) has the molecular formula C10H12F4N2O3 and a molecular weight of 284.21 g/mol. Its IUPAC name is 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
PubChem CID4920076
Molecular FormulaC10H12F4N2O3
Molecular Weight284.21 g/mol
Exact Mass284.08
IUPAC Name5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
SMILESCc1cn(C(C)OCC(F)(F)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12F4N2O3/c1-5-3-16(9(18)15-7(5)17)6(2)19-4-10(13,14)8(11)12/h3,6,8H,4H2,1-2H3,(H,15,17,18)
InChIKeyKDKRKQHCAMXISM-UHFFFAOYSA-N
XLogP1.28
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Stk771272
CID 4015329
Tetrahydrofuranylthymine
CID 267376
1-(1-Butoxy-ethyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 2883397
5-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-2,4-dione
CID 312156
5-Methyl-1-((2-propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione
CID 376607
2-[[2,4-Dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate
CID 15954382
1-(2-Aminoethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 21787104
5-(2-Fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
CID 57399553
1-Methyl-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 13004982
1-Ethoxymethyl-5-ethyluracil
CID 10262317
5-Methyl-1-(2,2,3,3-tetrafluoro-4-hydroxy-butyl)pyrimidine-2,4-dione
CID 129908909
1-(1-Ethoxyethyl)-5-fluorouracil
CID 4015327

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione (CID 4920076) is 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione is Cc1cn(C(C)OCC(F)(F)C(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is KDKRKQHCAMXISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O3/c1-5-3-16(9(18)15-7(5)17)6(2)19-4-10(13,14)8(11)12/h3,6,8H,4H2,1-2H3,(H,15,17,18).
What are the key properties of 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione?
5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 284.21 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4920076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).