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

C7H8F3N3O — CID 136955982

IUPAC2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c1-4-12-5(2-6(14)13-4)11-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyAIAFUXZPMXMONV-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.05
Rot. Bonds2

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

2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one (PubChem CID 136955982) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
PubChem CID136955982
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c1-4-12-5(2-6(14)13-4)11-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyAIAFUXZPMXMONV-UHFFFAOYSA-N
XLogP1.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)pyrimidin-4-OL
CID 131028808
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
4-(difluoromethyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136103145
2-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103160
2-(ethylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103352
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one (CID 136955982) is 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one is Cc1nc(NCC(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one?
The InChIKey is AIAFUXZPMXMONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-12-5(2-6(14)13-4)11-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one has a molecular weight of 207.15 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).