N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine

C23H17F3N6O — CID 67005091

IUPACN-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine
SMILESCc1ccc(C(F)(F)F)cc1-c1cn2cncc(Nc3ccc(-c4ocnc4C)nc3)c2n1
InChIInChI=1S/C23H17F3N6O/c1-13-3-4-15(23(24,25)26)7-17(13)20-10-32-11-27-9-19(22(32)31-20)30-16-5-6-18(28-8-16)21-14(2)29-12-33-21/h3-12,30H,1-2H3
InChIKeyXBNCGUPXTSIAKR-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.83
Rot. Bonds4

About N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine

N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine (PubChem CID 67005091) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine.

Molecular Properties

Compound NameN-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine
PubChem CID67005091
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC NameN-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine
SMILESCc1ccc(C(F)(F)F)cc1-c1cn2cncc(Nc3ccc(-c4ocnc4C)nc3)c2n1
InChIInChI=1S/C23H17F3N6O/c1-13-3-4-15(23(24,25)26)7-17(13)20-10-32-11-27-9-19(22(32)31-20)30-16-5-6-18(28-8-16)21-14(2)29-12-33-21/h3-12,30H,1-2H3
InChIKeyXBNCGUPXTSIAKR-UHFFFAOYSA-N
XLogP5.83
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine?
The IUPAC name of N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine (CID 67005091) is N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine.
What is the SMILES notation for N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine?
The canonical SMILES for N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine is Cc1ccc(C(F)(F)F)cc1-c1cn2cncc(Nc3ccc(-c4ocnc4C)nc3)c2n1.
What is the InChIKey of N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine?
The InChIKey is XBNCGUPXTSIAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c1-13-3-4-15(23(24,25)26)7-17(13)20-10-32-11-27-9-19(22(32)31-20)30-16-5-6-18(28-8-16)21-14(2)29-12-33-21/h3-12,30H,1-2H3.
What are the key properties of N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine?
N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine has a molecular weight of 450.42 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine is sourced from PubChem (CID 67005091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).