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

C23H24F3N7O3 — CID 59507567

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOC4)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H24F3N7O3/c24-23(25,26)17-9-19(27)28-12-16(17)18-10-20(32-22(31-18)33-4-7-34-8-5-33)30-14-1-2-21(29-11-14)36-15-3-6-35-13-15/h1-2,9-12,15H,3-8,13H2,(H2,27,28)(H,30,31,32)
InChIKeyOADZVDAPQYJWTJ-UHFFFAOYSA-N
MW503.49 g/mol
LogP3.28
Rot. Bonds6

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

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 59507567) has the molecular formula C23H24F3N7O3 and a molecular weight of 503.49 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine
PubChem CID59507567
Molecular FormulaC23H24F3N7O3
Molecular Weight503.49 g/mol
Exact Mass503.19
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOC4)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H24F3N7O3/c24-23(25,26)17-9-19(27)28-12-16(17)18-10-20(32-22(31-18)33-4-7-34-8-5-33)30-14-1-2-21(29-11-14)36-15-3-6-35-13-15/h1-2,9-12,15H,3-8,13H2,(H2,27,28)(H,30,31,32)
InChIKeyOADZVDAPQYJWTJ-UHFFFAOYSA-N
XLogP3.28
TPSA120.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine (CID 59507567) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-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-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine is Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOC4)nc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is OADZVDAPQYJWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O3/c24-23(25,26)17-9-19(27)28-12-16(17)18-10-20(32-22(31-18)33-4-7-34-8-5-33)30-14-1-2-21(29-11-14)36-15-3-6-35-13-15/h1-2,9-12,15H,3-8,13H2,(H2,27,28)(H,30,31,32).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 503.49 g/mol, XLogP of 3.28, 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-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 59507567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).