5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H22F3N9O — CID 58507977

IUPAC5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCN(c2nc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H22F3N9O/c1-27-2-4-28(5-3-27)15-24-13(25-16(26-15)29-6-8-30-9-7-29)11-10-22-14(21)23-12(11)17(18,19)20/h10H,2-9H2,1H3,(H2,21,22,23)
InChIKeyWJQCTVGORXGNBR-UHFFFAOYSA-N
MW425.42 g/mol
LogP0.52
Rot. Bonds3

About 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 58507977) has the molecular formula C17H22F3N9O and a molecular weight of 425.42 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID58507977
Molecular FormulaC17H22F3N9O
Molecular Weight425.42 g/mol
Exact Mass425.19
IUPAC Name5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCN(c2nc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H22F3N9O/c1-27-2-4-28(5-3-27)15-24-13(25-16(26-15)29-6-8-30-9-7-29)11-10-22-14(21)23-12(11)17(18,19)20/h10H,2-9H2,1H3,(H2,21,22,23)
InChIKeyWJQCTVGORXGNBR-UHFFFAOYSA-N
XLogP0.52
TPSA109.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-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-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 58507977) is 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is CN1CCN(c2nc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WJQCTVGORXGNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N9O/c1-27-2-4-28(5-3-27)15-24-13(25-16(26-15)29-6-8-30-9-7-29)11-10-22-14(21)23-12(11)17(18,19)20/h10H,2-9H2,1H3,(H2,21,22,23).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 425.42 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 58507977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).