4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine

C8H10F3N3O — CID 135410011

IUPAC2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC(C)NC1=NC(=CC(=O)N1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4(2)12-7-13-5(8(9,10)11)3-6(15)14-7/h3-4H,1-2H3,(H2,12,13,14,15)
InChIKeyAVJAKWJFALXZDS-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.80
Rot. Bonds2

About 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine

4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine (PubChem CID 135410011) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine
PubChem CID135410011
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC(C)NC1=NC(=CC(=O)N1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4(2)12-7-13-5(8(9,10)11)3-6(15)14-7/h3-4H,1-2H3,(H2,12,13,14,15)
InChIKeyAVJAKWJFALXZDS-UHFFFAOYSA-N
XLogP0.80
TPSA53.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity331

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine (CID 135410011) is 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine is CC(C)NC1=NC(=CC(=O)N1)C(F)(F)F.
What is the InChIKey of 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine?
The InChIKey is AVJAKWJFALXZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4(2)12-7-13-5(8(9,10)11)3-6(15)14-7/h3-4H,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine?
4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine has a molecular weight of 221.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 135410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).