4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one

C6H6F3N3O — CID 136802784

IUPAC4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCNc1cc(=O)[nH]c(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c1-10-3-2-4(13)12-5(11-3)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyVFTPMKANPBHDMC-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.83
Rot. Bonds1

About 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one

4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136802784) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136802784
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCNc1cc(=O)[nH]c(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c1-10-3-2-4(13)12-5(11-3)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyVFTPMKANPBHDMC-UHFFFAOYSA-N
XLogP0.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-2-(trifluoromethyl)pyrimidin-4-ol
CID 135408606
4(3H)-Pyrimidinone, 6-fluoro-2-methyl-(8CI)
CID 135618098
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
4-amino-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136055368
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802785
2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819404
2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819414
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136932129
2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955982

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136802784) is 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one is CNc1cc(=O)[nH]c(C(F)(F)F)n1.
What is the InChIKey of 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is VFTPMKANPBHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-10-3-2-4(13)12-5(11-3)6(7,8)9/h2H,1H3,(H2,10,11,12,13).
What are the key properties of 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 193.13 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136802784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).