5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C16H20F3N9O — CID 139508931

IUPAC5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ncnc(N3CCN(N4CCOCC4)CC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C16H20F3N9O/c17-16(18,19)12-11(9-21-14(20)24-12)13-22-10-23-15(25-13)26-1-3-27(4-2-26)28-5-7-29-8-6-28/h9-10H,1-8H2,(H2,20,21,24)
InChIKeyPZUOKOUVSCNTAZ-UHFFFAOYSA-N
MW411.39 g/mol
LogP0.30
Rot. Bonds3

About 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 139508931) has the molecular formula C16H20F3N9O and a molecular weight of 411.39 g/mol. Its IUPAC name is 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID139508931
Molecular FormulaC16H20F3N9O
Molecular Weight411.39 g/mol
Exact Mass411.17
IUPAC Name5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ncnc(N3CCN(N4CCOCC4)CC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C16H20F3N9O/c17-16(18,19)12-11(9-21-14(20)24-12)13-22-10-23-15(25-13)26-1-3-27(4-2-26)28-5-7-29-8-6-28/h9-10H,1-8H2,(H2,20,21,24)
InChIKeyPZUOKOUVSCNTAZ-UHFFFAOYSA-N
XLogP0.30
TPSA109.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-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 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 139508931) is 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(-c2ncnc(N3CCN(N4CCOCC4)CC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PZUOKOUVSCNTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N9O/c17-16(18,19)12-11(9-21-14(20)24-12)13-22-10-23-15(25-13)26-1-3-27(4-2-26)28-5-7-29-8-6-28/h9-10H,1-8H2,(H2,20,21,24).
What are the key properties of 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 411.39 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 139508931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).