4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one

C8H10F3N3O — CID 136786693

IUPAC4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CC(F)(F)F)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H10F3N3O/c1-5(3-8(9,10)11)14-6-2-7(15)13-4-12-6/h2,4-5H,3H2,1H3,(H2,12,13,14,15)
InChIKeySALMJYDVRMHLPU-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.52
Rot. Bonds3

About 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one

4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136786693) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136786693
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CC(F)(F)F)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H10F3N3O/c1-5(3-8(9,10)11)14-6-2-7(15)13-4-12-6/h2,4-5H,3H2,1H3,(H2,12,13,14,15)
InChIKeySALMJYDVRMHLPU-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-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

2-(Propylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388272
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine
CID 135410011
2-(butan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388259
2-(Butylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388276
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728238
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736694
2-[[(2S)-butan-2-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741329
5-chloro-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786686

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one (CID 136786693) is 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one is CC(CC(F)(F)F)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is SALMJYDVRMHLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(3-8(9,10)11)14-6-2-7(15)13-4-12-6/h2,4-5H,3H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one?
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 221.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136786693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).