4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one

C9H11F4N3O2 — CID 136967808

IUPAC4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESCc1c(N)nc(COCC(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C9H11F4N3O2/c1-4-6(14)15-5(16-7(4)17)2-18-3-9(12,13)8(10)11/h8H,2-3H2,1H3,(H3,14,15,16,17)
InChIKeyGINVUOGGQVHSME-UHFFFAOYSA-N
MW269.20 g/mol
LogP1.08
Rot. Bonds5

About 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one

4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136967808) has the molecular formula C9H11F4N3O2 and a molecular weight of 269.20 g/mol. Its IUPAC name is 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
PubChem CID136967808
Molecular FormulaC9H11F4N3O2
Molecular Weight269.20 g/mol
Exact Mass269.08
IUPAC Name4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESCc1c(N)nc(COCC(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C9H11F4N3O2/c1-4-6(14)15-5(16-7(4)17)2-18-3-9(12,13)8(10)11/h8H,2-3H2,1H3,(H3,14,15,16,17)
InChIKeyGINVUOGGQVHSME-UHFFFAOYSA-N
XLogP1.08
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 103146608
4-hydroxy-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146609
4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473469
5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473470
4-hydroxy-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473471
4-hydroxy-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473473
5-(aminomethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103477021
4-hydroxy-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 113819702
5-ethyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819703
4-hydroxy-5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819704
4-amino-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842414
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 136842415

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (CID 136967808) is 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is Cc1c(N)nc(COCC(F)(F)C(F)F)[nH]c1=O.
What is the InChIKey of 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is GINVUOGGQVHSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3O2/c1-4-6(14)15-5(16-7(4)17)2-18-3-9(12,13)8(10)11/h8H,2-3H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 269.20 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136967808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).