4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one

C10H12F4N2O3 — CID 136890417

IUPAC4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H12F4N2O3/c1-18-3-6-2-8(17)16-7(15-6)4-19-5-10(13,14)9(11)12/h2,9H,3-5H2,1H3,(H,15,16,17)
InChIKeyIHJJVBFZENAWAT-UHFFFAOYSA-N
MW284.21 g/mol
LogP1.33
Rot. Bonds7

About 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one

4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136890417) has the molecular formula C10H12F4N2O3 and a molecular weight of 284.21 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
PubChem CID136890417
Molecular FormulaC10H12F4N2O3
Molecular Weight284.21 g/mol
Exact Mass284.08
IUPAC Name4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H12F4N2O3/c1-18-3-6-2-8(17)16-7(15-6)4-19-5-10(13,14)9(11)12/h2,9H,3-5H2,1H3,(H,15,16,17)
InChIKeyIHJJVBFZENAWAT-UHFFFAOYSA-N
XLogP1.33
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.33
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

2-ethyl-6-(methoxymethyl)pyrimidin-4(3H)-one
CID 135631206
2,6-Bis(methoxymethyl)-4(3H)-pyrimidinone
CID 135800645
4-Hydroxy-6-methoxymethyl-2-methylpyrimidine
CID 135498454
4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136035624
4-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288767
4-Hydroxy-6-dimethoxymethyl-2-(trifluoromethyl)pyrimidine
CID 136661158
2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136842435
4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842436
4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890394
4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890402
4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890403
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890404

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (CID 136890417) is 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is IHJJVBFZENAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O3/c1-18-3-6-2-8(17)16-7(15-6)4-19-5-10(13,14)9(11)12/h2,9H,3-5H2,1H3,(H,15,16,17).
What are the key properties of 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 284.21 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136890417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).