6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

C9H12F3N3O — CID 83850724

IUPAC6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)C(N)c1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C9H12F3N3O/c1-4(2)7(13)5-3-6(9(10,11)12)15-8(16)14-5/h3-4,7H,13H2,1-2H3,(H,14,15,16)
InChIKeyQACDMVDMJCIGKE-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.44
Rot. Bonds2

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

6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 83850724) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID83850724
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)C(N)c1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C9H12F3N3O/c1-4(2)7(13)5-3-6(9(10,11)12)15-8(16)14-5/h3-4,7H,13H2,1-2H3,(H,14,15,16)
InChIKeyQACDMVDMJCIGKE-UHFFFAOYSA-N
XLogP1.44
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 11117547
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848429
6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849648
6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849649
6-(aminomethyl)-4-(2-methylpropyl)-1H-pyrimidin-2-one
CID 82408358
6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one
CID 82408369
6-[(1S,2S)-1-amino-2-methylbutyl]-1H-pyrimidin-2-one
CID 82408370
6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one
CID 82413785
6-[(1S)-1-amino-2-methylpropyl]-1H-pyrimidin-2-one
CID 82413793
6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one
CID 83845949
6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one
CID 83846624

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 83850724) is 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is CC(C)C(N)c1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is QACDMVDMJCIGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-4(2)7(13)5-3-6(9(10,11)12)15-8(16)14-5/h3-4,7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 235.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83850724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).