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

C8H9F4N3O — CID 136819404

IUPAC2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC(F)(F)C(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H9F4N3O/c1-4-14-5(2-6(16)15-4)13-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H2,13,14,15,16)
InChIKeyUVIFOUHUHFUTSQ-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.39
Rot. Bonds4

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

2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one (PubChem CID 136819404) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
PubChem CID136819404
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC(F)(F)C(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H9F4N3O/c1-4-14-5(2-6(16)15-4)13-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H2,13,14,15,16)
InChIKeyUVIFOUHUHFUTSQ-UHFFFAOYSA-N
XLogP1.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.39
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

2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
4-(difluoromethyl)-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 136103440
2-[2-(methylamino)ethyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103461
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786694
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802784
4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one (CID 136819404) is 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one is Cc1nc(NCC(F)(F)C(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one?
The InChIKey is UVIFOUHUHFUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-4-14-5(2-6(16)15-4)13-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one?
2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one has a molecular weight of 239.17 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136819404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).