3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine

C23H22F3N7O2 — CID 59137341

IUPAC3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine
SMILESCOc1nc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N
InChIInChI=1S/C23H22F3N7O2/c1-12(2)10-30-22-28-9-8-15(32-22)18-17(16-11-29-19(27)21(31-16)34-3)33-20(35-18)13-4-6-14(7-5-13)23(24,25)26/h4-9,11-12H,10H2,1-3H3,(H2,27,29)(H,28,30,32)
InChIKeyILLRENCAJNWXNZ-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.93
Rot. Bonds7

About 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine

3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine (PubChem CID 59137341) has the molecular formula C23H22F3N7O2 and a molecular weight of 485.47 g/mol. Its IUPAC name is 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine
PubChem CID59137341
Molecular FormulaC23H22F3N7O2
Molecular Weight485.47 g/mol
Exact Mass485.18
IUPAC Name3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine
SMILESCOc1nc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N
InChIInChI=1S/C23H22F3N7O2/c1-12(2)10-30-22-28-9-8-15(32-22)18-17(16-11-29-19(27)21(31-16)34-3)33-20(35-18)13-4-6-14(7-5-13)23(24,25)26/h4-9,11-12H,10H2,1-3H3,(H2,27,29)(H,28,30,32)
InChIKeyILLRENCAJNWXNZ-UHFFFAOYSA-N
XLogP4.93
TPSA124.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine?
The IUPAC name of 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine (CID 59137341) is 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine is COc1nc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N.
What is the InChIKey of 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine?
The InChIKey is ILLRENCAJNWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2/c1-12(2)10-30-22-28-9-8-15(32-22)18-17(16-11-29-19(27)21(31-16)34-3)33-20(35-18)13-4-6-14(7-5-13)23(24,25)26/h4-9,11-12H,10H2,1-3H3,(H2,27,29)(H,28,30,32).
What are the key properties of 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine?
3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine has a molecular weight of 485.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 59137341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).