2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C8H10F3N3O — CID 135410011

IUPAC2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc(C(F)(F)F)cc(=O)[nH]1
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
LogP1.61
Rot. Bonds2

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

2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (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 Name2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
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)Nc1nc(C(F)(F)F)cc(=O)[nH]1
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
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

Analyze 2-(propan-2-ylamino)-4-(trifluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135410011) is 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CC(C)Nc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
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 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-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 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).