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

C8H10F3N3O — CID 136956608

IUPAC2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H10F3N3O/c1-5-13-6(4-7(15)14-5)12-3-2-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyPAAYYJDZEUAJPY-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.44
Rot. Bonds3

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

2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one (PubChem CID 136956608) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
PubChem CID136956608
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H10F3N3O/c1-5-13-6(4-7(15)14-5)12-3-2-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyPAAYYJDZEUAJPY-UHFFFAOYSA-N
XLogP1.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 135978395
4-(ethylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095578
4-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095842
2-(ethylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103352
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-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736697
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one (CID 136956608) is 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one is Cc1nc(NCCC(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The InChIKey is PAAYYJDZEUAJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-13-6(4-7(15)14-5)12-3-2-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one has a molecular weight of 221.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).