N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C16H24F3N5O — CID 133335960

IUPACN,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C16H24F3N5O/c1-22(2)14-9-13(16(17,18)19)20-15(21-14)24-6-4-23(5-7-24)10-12-3-8-25-11-12/h9,12H,3-8,10-11H2,1-2H3
InChIKeyWYQLGZJOZSVMLF-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.72
Rot. Bonds4

About N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133335960) has the molecular formula C16H24F3N5O and a molecular weight of 359.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133335960
Molecular FormulaC16H24F3N5O
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC NameN,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C16H24F3N5O/c1-22(2)14-9-13(16(17,18)19)20-15(21-14)24-6-4-23(5-7-24)10-12-3-8-25-11-12/h9,12H,3-8,10-11H2,1-2H3
InChIKeyWYQLGZJOZSVMLF-UHFFFAOYSA-N
XLogP1.72
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine 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 N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 133335960) is N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(N2CCN(CC3CCOC3)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WYQLGZJOZSVMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O/c1-22(2)14-9-13(16(17,18)19)20-15(21-14)24-6-4-23(5-7-24)10-12-3-8-25-11-12/h9,12H,3-8,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 359.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133335960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).