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

C22H24F3N7O2 — CID 59507729

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H24F3N7O2/c1-13(2)34-14-3-4-27-19(9-14)30-20-11-17(29-21(31-20)32-5-7-33-8-6-32)15-12-28-18(26)10-16(15)22(23,24)25/h3-4,9-13H,5-8H2,1-2H3,(H2,26,28)(H,27,29,30,31)
InChIKeyKBAYVIXRQAUORZ-UHFFFAOYSA-N
MW475.48 g/mol
LogP3.90
Rot. Bonds6

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

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine (PubChem CID 59507729) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine
PubChem CID59507729
Molecular FormulaC22H24F3N7O2
Molecular Weight475.48 g/mol
Exact Mass475.19
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H24F3N7O2/c1-13(2)34-14-3-4-27-19(9-14)30-20-11-17(29-21(31-20)32-5-7-33-8-6-32)15-12-28-18(26)10-16(15)22(23,24)25/h3-4,9-13H,5-8H2,1-2H3,(H2,26,28)(H,27,29,30,31)
InChIKeyKBAYVIXRQAUORZ-UHFFFAOYSA-N
XLogP3.90
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine (CID 59507729) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine is CC(C)Oc1ccnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is KBAYVIXRQAUORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O2/c1-13(2)34-14-3-4-27-19(9-14)30-20-11-17(29-21(31-20)32-5-7-33-8-6-32)15-12-28-18(26)10-16(15)22(23,24)25/h3-4,9-13H,5-8H2,1-2H3,(H2,26,28)(H,27,29,30,31).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 475.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(4-propan-2-yloxy-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 59507729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).