6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine

C24H26F3N7O3 — CID 59507454

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOCC4)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H26F3N7O3/c25-24(26,27)18-11-20(28)29-14-17(18)19-12-21(33-23(32-19)34-5-9-36-10-6-34)31-15-1-2-22(30-13-15)37-16-3-7-35-8-4-16/h1-2,11-14,16H,3-10H2,(H2,28,29)(H,31,32,33)
InChIKeyPATBIWCFQQYRPI-UHFFFAOYSA-N
MW517.51 g/mol
LogP3.67
Rot. Bonds6

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 59507454) has the molecular formula C24H26F3N7O3 and a molecular weight of 517.51 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine
PubChem CID59507454
Molecular FormulaC24H26F3N7O3
Molecular Weight517.51 g/mol
Exact Mass517.20
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOCC4)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H26F3N7O3/c25-24(26,27)18-11-20(28)29-14-17(18)19-12-21(33-23(32-19)34-5-9-36-10-6-34)31-15-1-2-22(30-13-15)37-16-3-7-35-8-4-16/h1-2,11-14,16H,3-10H2,(H2,28,29)(H,31,32,33)
InChIKeyPATBIWCFQQYRPI-UHFFFAOYSA-N
XLogP3.67
TPSA120.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-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-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine (CID 59507454) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine is Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOCC4)nc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is PATBIWCFQQYRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O3/c25-24(26,27)18-11-20(28)29-14-17(18)19-12-21(33-23(32-19)34-5-9-36-10-6-34)31-15-1-2-22(30-13-15)37-16-3-7-35-8-4-16/h1-2,11-14,16H,3-10H2,(H2,28,29)(H,31,32,33).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 517.51 g/mol, XLogP of 3.67, 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-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 59507454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).