6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine

C26H32F3N9O — CID 59507732

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
SMILESCC(C)N1CCN(c2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C26H32F3N9O/c1-17(2)36-5-7-37(8-6-36)24-4-3-18(15-32-24)33-23-14-21(34-25(35-23)38-9-11-39-12-10-38)19-16-31-22(30)13-20(19)26(27,28)29/h3-4,13-17H,5-12H2,1-2H3,(H2,30,31)(H,33,34,35)
InChIKeyHCYWLVXLWCGLEI-UHFFFAOYSA-N
MW543.60 g/mol
LogP3.65
Rot. Bonds6

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 59507732) has the molecular formula C26H32F3N9O and a molecular weight of 543.60 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID59507732
Molecular FormulaC26H32F3N9O
Molecular Weight543.60 g/mol
Exact Mass543.27
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
SMILESCC(C)N1CCN(c2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C26H32F3N9O/c1-17(2)36-5-7-37(8-6-36)24-4-3-18(15-32-24)33-23-14-21(34-25(35-23)38-9-11-39-12-10-38)19-16-31-22(30)13-20(19)26(27,28)29/h3-4,13-17H,5-12H2,1-2H3,(H2,30,31)(H,33,34,35)
InChIKeyHCYWLVXLWCGLEI-UHFFFAOYSA-N
XLogP3.65
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]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 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine (CID 59507732) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine is CC(C)N1CCN(c2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is HCYWLVXLWCGLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N9O/c1-17(2)36-5-7-37(8-6-36)24-4-3-18(15-32-24)33-23-14-21(34-25(35-23)38-9-11-39-12-10-38)19-16-31-22(30)13-20(19)26(27,28)29/h3-4,13-17H,5-12H2,1-2H3,(H2,30,31)(H,33,34,35).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 543.60 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 59507732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).