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

C7H7F4N3O — CID 136819412

IUPAC4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(F)(F)C(F)F)nc[nH]1
InChIInChI=1S/C7H7F4N3O/c8-6(9)7(10,11)2-12-4-1-5(15)14-3-13-4/h1,3,6H,2H2,(H2,12,13,14,15)
InChIKeyBNDMGDLDHRYKNT-UHFFFAOYSA-N
MW225.15 g/mol
LogP1.08
Rot. Bonds4

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

4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one (PubChem CID 136819412) has the molecular formula C7H7F4N3O and a molecular weight of 225.15 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
PubChem CID136819412
Molecular FormulaC7H7F4N3O
Molecular Weight225.15 g/mol
Exact Mass225.05
IUPAC Name4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(F)(F)C(F)F)nc[nH]1
InChIInChI=1S/C7H7F4N3O/c8-6(9)7(10,11)2-12-4-1-5(15)14-3-13-4/h1,3,6H,2H2,(H2,12,13,14,15)
InChIKeyBNDMGDLDHRYKNT-UHFFFAOYSA-N
XLogP1.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-6-hydroxypyrimidine
CID 135608329
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728238
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736694
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
5-iodo-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819407
4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955984
5-iodo-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956607
4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956610
4-(2,2-difluoroethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136957011
4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136957014

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one (CID 136819412) is 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one is O=c1cc(NCC(F)(F)C(F)F)nc[nH]1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one?
The InChIKey is BNDMGDLDHRYKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c8-6(9)7(10,11)2-12-4-1-5(15)14-3-13-4/h1,3,6H,2H2,(H2,12,13,14,15).
What are the key properties of 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one?
4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one has a molecular weight of 225.15 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136819412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).