2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H13F3N4O — CID 135644916

IUPAC2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C10H13F3N4O/c1-16-2-4-17(5-3-16)9-14-7(10(11,12)13)6-8(18)15-9/h6H,2-5H2,1H3,(H,14,15,18)
InChIKeyYKLAYPRETVJYSQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.54
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135644916) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135644916
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C10H13F3N4O/c1-16-2-4-17(5-3-16)9-14-7(10(11,12)13)6-8(18)15-9/h6H,2-5H2,1H3,(H,14,15,18)
InChIKeyYKLAYPRETVJYSQ-UHFFFAOYSA-N
XLogP0.54
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperazin-1-yl)-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-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135644916) is 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is YKLAYPRETVJYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-16-2-4-17(5-3-16)9-14-7(10(11,12)13)6-8(18)15-9/h6H,2-5H2,1H3,(H,14,15,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 262.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135644916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).