6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one

C8H10F3N3O — CID 145025587

IUPAC6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)Nc1[nH]c(=O)ncc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4(2)13-6-5(8(9,10)11)3-12-7(15)14-6/h3-4H,1-2H3,(H2,12,13,14,15)
InChIKeyOBZAGFOSKMNXGN-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.61
Rot. Bonds2

About 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one

6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 145025587) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID145025587
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)Nc1[nH]c(=O)ncc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4(2)13-6-5(8(9,10)11)3-12-7(15)14-6/h3-4H,1-2H3,(H2,12,13,14,15)
InChIKeyOBZAGFOSKMNXGN-UHFFFAOYSA-N
XLogP1.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 143979405
ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 144752640
5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one
CID 13065766
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10199303
3-[4-(propan-2-ylamino)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 70831480
7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279024
5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one
CID 59223458
6-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 107292674
2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 63925969
N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854007
6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 131865190
2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 139481004

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one (CID 145025587) is 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one is CC(C)Nc1[nH]c(=O)ncc1C(F)(F)F.
What is the InChIKey of 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is OBZAGFOSKMNXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4(2)13-6-5(8(9,10)11)3-12-7(15)14-6/h3-4H,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 145025587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).