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

C8H10F3N3O — CID 83849648

IUPAC6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(N)Cc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C8H10F3N3O/c1-4(12)2-5-3-6(8(9,10)11)14-7(15)13-5/h3-4H,2,12H2,1H3,(H,13,14,15)
InChIKeyUODNQUZVXWARDU-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.68
Rot. Bonds2

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

6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 83849648) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID83849648
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(N)Cc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C8H10F3N3O/c1-4(12)2-5-3-6(8(9,10)11)14-7(15)13-5/h3-4H,2,12H2,1H3,(H,13,14,15)
InChIKeyUODNQUZVXWARDU-UHFFFAOYSA-N
XLogP0.68
TPSA71.77 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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
CID 123325986
6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 11117547
2(1H)-Pyrimidinone, 4-(1-methylethyl)-6-(trifluoromethyl)-
CID 13320944
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43753201
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848428
6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849649
6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83850724
6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83851234
4-(2-aminopropyl)-7-(trifluoromethyl)-3H-quinazolin-2-one
CID 105518877
4-(2-aminopropyl)-6-(trifluoromethyl)-3H-quinazolin-2-one
CID 105518880
4-[2-(methylamino)propyl]-7-(trifluoromethyl)-3H-quinazolin-2-one
CID 105524482

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 83849648) is 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is CC(N)Cc1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is UODNQUZVXWARDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4(12)2-5-3-6(8(9,10)11)14-7(15)13-5/h3-4H,2,12H2,1H3,(H,13,14,15).
What are the key properties of 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 221.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83849648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).